Dielectric constants, densities, and viscosities of acetone-1-propanol and acetone-n-hexane mixtures at 25.deg.C

Johari, G. P.

doi:10.1021/je60039a027

Cited by 46 publications

(8 citation statements)

References 10 publications

(11 reference statements)

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“…The adsorption of gas‐phase modifiers induces a molecular microenvironment at the individual residue level which is more akin to the solution phase where solvent‐exposed residues are solvated by polar molecules which form a solvation shell. This change in molecular environment correlates with differences in relative permittivity at 25°C between nitrogen gas (~1.0) and the gas‐phase modifiers (i.e., 32.7 for methanol, 37.5 for acetonitrile, and 20.7 for acetone). Despite these values being lower than that for water (78.4), residues with adsorbed modifier molecules experience a radically different local electrostatic environment compared with the absence of modifiers.…”

Section: Resultsmentioning

confidence: 99%

The effects of solution additives and gas‐phase modifiers on the molecular environment and conformational space of common heme proteins

Butcher

Mikšovská

Ridgeway

et al. 2019

Rapid Comm Mass Spectrometry

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Rationale The molecular environment is known to impact the secondary and tertiary structures of biomolecules both in solution and in the gas phase, shifting the equilibrium between different conformational and oligomerization states. However, there is a lack of studies monitoring the impacts of solution additives and gas‐phase modifiers on biomolecules characterized using ion mobility techniques. Methods The effect of solution additives and gas‐phase modifiers on the molecular environment of two common heme proteins, bovine cytochrome c and equine myoglobin, is investigated as a function of the time after desolvation (e.g., 100–500 ms) using nanoelectrospray ionization coupled to trapped ion mobility spectrometry with detection by time‐of‐flight mass spectrometry. Organic compounds used as additives/modifiers (methanol, acetonitrile, acetone) were either added to the aqueous protein solution before ionization or added to the ion mobility bath gas by nebulization. Results Changes in the mobility profiles are observed depending on the starting solution composition (i.e., in aqueous solution at neutral pH or in the presence of organic content: methanol, acetone, or acetonitrile) and the protein. In the presence of gas‐phase modifiers (i.e., N2 doped with methanol, acetone, or acetonitrile), a shift in the mobility profiles driven by the gas‐modifier mass and size and changes in the relative abundances and number of IMS bands are observed. Conclusions We attribute the observed changes in the mobility profiles in the presence of gas‐phase modifiers to a clustering/declustering mechanism by which organic molecules adsorb to the protein ion surface and lower energetic barriers for interconversion between conformational states, thus redefining the free energy landscape and equilibria between conformers. These structural biology experiments open new avenues for manipulation and interrogation of biomolecules in the gas phase with the potential to emulate a large suite of solution conditions, ultimately including conditions that more accurately reflect a variety of intracellular environments.

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Section: Resultsmentioning

confidence: 99%

The effects of solution additives and gas‐phase modifiers on the molecular environment and conformational space of common heme proteins

Butcher

Mikšovská

Ridgeway

et al. 2019

Rapid Comm Mass Spectrometry

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“…b Detailed information has been reported in ref . M1, n -hexane/ethanol; M2, n -hexane/1-hexanol; M3, ethanol/ n -heptane; M4, ethanol/cyclohexane; M5, cyclohexane/2-propanol; M6, methanol/ethanol; M7, methanol/1-propanol; M8, methanol/2-propanol; M9, ethanol/1-propanol; M10, ethanol/2-propanol; M11, acetone/methanol; M12, acetone/ethanol; M13, 1-propanol/acetone; M14, acetone/2-propanol; M15, triethylamine/methanol; M16, butylamine/ethanol; M17, ethanolamine/ethanol; M18, ethanolamine/1-propanol; M19, ethanolamine/2-propanol; M20, ethanolamine/1-octanol; M21, methanol/carbon tetrachloride; M22, ethanol/carbon tetrachloride; M23, carbon tetrachloride/2-propanol; M24, carbon tetrachloride/cyclohexane; M25, acetone/carbon tetrachloride; M26, anisole/carbon tetrachloride; M27, n -hexane/chloroform; M28, chloroform/methanol; M29, chloroform/benzene; M30, chloroform/toluene; M31, triethlyamine/chloroform; M32, methyl acetate/chloroform; M33, benzene/ n -hexane; M34, n -heptane/benzene; M35, benzene/cyclohexane; M36, benzene/ethanol; M37, benzene/toluene; M38, anisole/cyclohexane; M39, anisole/chlorobenzene; M40, anisole/1,2-dichloroethane; M41, 2-butanone/dibutyl ether; M42, 2-picoline/2-butanone; M43, ethanol/1,2-dichloroethane; M44, ethanol/1,1,1-trichloroethane; M45, acetone/ n -hexane; M46, acetone/cyclohexane; M47, n -hexane/cyclohexane; M48, butylamine/benzylamine; M49, methyl acetate/ n -hexane; M50, triethlyamine/chlorobenzene; M51, m -xylene/ o -xylene; M52, p -xylene/ m -xylene; M53, p -xylene/ o -xylene; M54, carbon tetrachloride/ n -hexane; M55, carbon tetrachloride/benzene; M56, n -hexadecane/carbon tetrachloride; M57, n -tetradecane/ n -hexane; M58, n -hexadecane/ n -hexane; M59, n -hexadecane/benzene;…”

Section: Nonaqueous Systems At Atmospheric Pressuresmentioning

confidence: 99%

Viscosity Calculations with the Eyring−Patel−Teja Model for Liquid Mixtures

Lee

Chiu

Hwang

et al. 1999

Ind. Eng. Chem. Res.

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The Patel-Teja equation of state was incorporated with Eyring's theory to form the Eyring-Patel-Teja viscosity model, in which both the excess activation free energy of flow and the density of a liquid mixture were calculated with the aid of the equation of state. The model correlated viscosities to a grand average absolute deviation of 2.1% for 60 nonaqueous binaries, when the one-parameter van der Waals one-fluid mixing rules were used for the equation constants of such mixtures. With the two-parameter Redlich-Kister type mixing rule of a m , the Eyring-Patel-Teja model correlated viscosities to a grand average absolute deviation of 4.5% for 15 aqueous binaries. This new model is applicable to elevated pressures and, with the binary interaction parameters as determined from binary mixtures, also successfully predicted ternary viscosities. The binary interaction parameters could be estimated from a rather limited data source of mixture viscosities (one data point for a nonaqueous system and two data points for an aqueous system).

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“…Graphs of dielectric constant (e) vs. solvent mole fraction for representative binary systems containing acetone are shown in Figure 1. Nonlinear functions are observed not only for those systems having a strong hydrogen bond donor (i.e., water and 1-propanol) but also for the cases of the nonpolar hydrocarbons, n-hexane and benzene (16,17). For the HBD systems, the pronounced curvature would be expected to arise from both donor-acceptor interactions involving hydrogen bonding to acetone and disruption of the structure of the self-associated hydroxylic solvent by the added acetone (17).…”

Section: Resultsmentioning

confidence: 99%

Benzonitrile nitrogen-15 nuclear magnetic resonance chemical shift as a probe of solvent dipolarity

Kolling¹

1984

Anal. Chem.

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Dielectric constants, densities, and viscosities of acetone-1-propanol and acetone-n-hexane mixtures at 25.deg.C

Cited by 46 publications

References 10 publications

The effects of solution additives and gas‐phase modifiers on the molecular environment and conformational space of common heme proteins

The effects of solution additives and gas‐phase modifiers on the molecular environment and conformational space of common heme proteins

Viscosity Calculations with the Eyring−Patel−Teja Model for Liquid Mixtures

Benzonitrile nitrogen-15 nuclear magnetic resonance chemical shift as a probe of solvent dipolarity

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