Excess molar Gibbs energies of mixing of water and 1,1,1,3,3,3-hexafluoropropan-2-ol mixtures at 298.15 K. Comparison of thermodynamic properties and inverse Kirkwood–Buff integral functions for binary aqueous mixtures formed by ethanol, propan-2-ol, 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoropropan-2-ol

Blandamer, Michael J.; Burgess, John; Cooney, A; Cowles, Heather J.; Horn, Ian M.; Martin, Kathryn J.; Morcom, K. W.; Warrick, Percy

doi:10.1039/ft9908602209

Cited by 23 publications

(23 citation statements)

References 29 publications

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“…As the activities are typically the largest source of error in the KB analysis, 1 we have included both sets of data in our comparison to provide an estimate of the degree of uncertainty in the experimental data. As a further consistency check, we have also reproduced the data of Blandamer et al 2 Both sets of experimental data are consistent in their description of the KB integrals for this system and suggest smaller errors in the integrals than originally estimated by Matteoli and Lepori. 1…”

Section: B Kirkwood-buff Theorysupporting

confidence: 84%

“…8,9,24,27 Two sets of experimental data exist describing the KB integrals for acetone-water mixtures. 1,2 The two studies used independent determinations of the solution activities or excess molar Gibbs energies. As the activities are typically the largest source of error in the KB analysis, 1 we have included both sets of data in our comparison to provide an estimate of the degree of uncertainty in the experimental data.…”

Section: B Kirkwood-buff Theorymentioning

confidence: 99%

“…Previous experimental studies of mixtures of acetone and water indicate that water molecules tend to self-aggregate, and that the degree of aggregation displays a maximum around compositions of 0.5 mole fraction. 1,2 However, most simulations of acetone and water mixtures have focused on describing spectroscopic data or characterizing the distribution of hydrogen bonds within the system. [3][4][5] None have described the aggregation of acetone or water in any detail.…”

Section: Introductionmentioning

confidence: 99%

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Kirkwood–Buff derived force field for mixtures of acetone and water

Weerasinghe¹,

Smith²

2003

The Journal of Chemical Physics

137

178

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A united atom nonpolarizable force field for the simulation of mixtures of acetone and water is described. The force field is designed to reproduce the thermodynamics and aggregation behavior of acetone-water mixtures over the full composition range at 300 K and 1 atm using the enhanced simple point charge water model. The Kirkwood-Buff theory of solutions is used to relate molecular distributions obtained from the simulations to the appropriate experimental thermodynamic data. The model provides a very good description of the solution behavior at low (x a Ͻ0.2) and high (x a Ͼ0.8) acetone concentrations. Intermediate compositions display a small systematic error in the region of highest water self-aggregation, which is removed on using larger system sizes. In either case, the activity of the solution is well reproduced over the full range of compositions.

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Section: B Kirkwood-buff Theorysupporting

confidence: 84%

Section: B Kirkwood-buff Theorymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Kirkwood–Buff derived force field for mixtures of acetone and water

Weerasinghe¹,

Smith²

2003

The Journal of Chemical Physics

137

178

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“…Thus, fibers obtained from TFE have different mechanical and morphological properties. At high TFE concentrations, intermolecular hydrogen bonding is inferred involving both -OH and the C-F groups of the fluoroalcohol (Blandamer et al 1990). Recently, an indirect mechanism for the stabilization of helices has been proposed in which the alcohol preferentially stabilizes the helical state, or indeed compact states relative to the unfolded polypeptide chain by affecting their solvation shells (Walgers et al 1998).…”

Section: Resultsmentioning

confidence: 99%

Elastin-like-recombinamers multilayered nanofibrous scaffolds for cardiovascular applications

et al. 2016

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Coronary angioplasty is the most widely used technique for removing atherosclerotic plaques in blood vessels. The regeneration of the damaged intima layer after this treatment is still one of the major challenges in the field of cardiovascular tissue engineering. Different polymers have been used in scaffold manufacturing in order to improve tissue regeneration. Elastin-mimetic polymers are a new class of molecules that have been synthesized and used to obtain small diameter fibers with specific morphological characteristics. Elastin-like polymers produced by recombinant techniques and called elastin-like recombinamers (ELRs) are particularly promising due to their high degree of functionalization. Generally speaking, ELRs can show more complex molecular designs and a tighter control of their sequence than other chemically synthetized polymers Rodriguez Cabello et al (2009 Polymer 50 5159-69, 2011 Nanomedicine 6 111-22). For the fabrication of small diameter fibers, different ELRs were dissolved in 2,2,2-fluoroethanol (TFE). Dynamic light scattering was used to identify the transition temperature and get a deep characterization of the transition behavior of the recombinamers. In this work, we describe the use of electrospinning technique for the manufacturing of an elastic fibrous scaffold; the obtained fibers were characterized and their cytocompatibility was tested in vitro. A thorough study of the influence of voltage, flow rate and distance was carried out in order to determine the appropriate parameters to obtain fibrous mats without beads and defects. Moreover, using a rotating mandrel, we fabricated a tubular scaffold in which ELRs containing different cell adhesion sequences (mainly REDV and RGD) were collected. The stability of the scaffold was improved by using genipin as a crosslinking agent. Genipin-ELRs crosslinked scaffolds show a good stability and fiber morphology. Human umbilical vein endothelial cells were used to assess the in vitro bioactivity of the cell adhesion domains within the backbone of the ELRs.

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“…On his side, vapor pressures of pure water and HFIP at 298.15 K were taken from the literature [29,30]. The vapor pressure for liquid mixtures (water + HFIP) and the corresponding vapor composition, y i , at 298.15 K were obtained from the work of Blandamer et al [31].…”

Section: Solubility Calculationsmentioning

confidence: 99%

Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa

Mainar

Martínez-López

Urieta

et al. 2019

The Journal of Chemical Thermodynamics

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2-ol) at the temperature of 298.15 K and 101.33 kPa partial pressure of gas are reported. A polynomial dependence of the solubilities on the molar fraction of the binary liquid mixture is found. The Henry's constants at the vapor pressure of water, the standard changes in the Gibbs energy for the solution process and for the solvation process, and the so-called excess Henry's constant are calculated. The results have been compared with those obtained by scaled particle theory (SPT). A method to compare the solubility of a gas in different liquids is proposed and applied to 2,2,2-trifluoroethanol and 1,1,1,3,3,3-hexafluoropropan-2-ol.

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Cited by 23 publications

References 29 publications

Kirkwood–Buff derived force field for mixtures of acetone and water

Kirkwood–Buff derived force field for mixtures of acetone and water

Elastin-like-recombinamers multilayered nanofibrous scaffolds for cardiovascular applications

Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa

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Cited by 23 publications

References 29 publications

Kirkwood–Buff derived force field for mixtures of acetone and water

Kirkwood–Buff derived force field for mixtures of acetone and water

Elastin-like-recombinamers multilayered nanofibrous scaffolds for cardiovascular applications

Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa

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Solubility of gases in fluoroorganic alcohols. Part III. Solubilities of several non-polar gases in water + 1,1,1,3,3,3-hexafluoropropan-2-ol at 298.15 K and 101.33 kPa