The (water+acetonitrile) mixture revisited: A new approach for calculating partial molar volumes

Grande, María del Carmen; Juliá, Jorge Álvarez; Barrero, Carmen Raquel; Marschoff, C.M.; Bianchi, Hugo L.

doi:10.1016/j.jct.2005.08.009

Cited by 37 publications

(23 citation statements)

References 14 publications

(37 reference statements)

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“…The density of this drop of solvent is 0.87 g/cm, which is comparable with the literature data for acetonitrile-water mixture of a given mass fraction at 298.15 K [49][50][51][52][53].…”

Section: Model Of Solvent Dropsupporting

confidence: 86%

Modeling solvation on the chemically modified silica surfaces

Buszewski

Bocian

Nowaczyk

2010

J of Separation Science

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A detailed molecular-level description of the retention mechanism in RP-HPLC is a point of great interest to analytical chemists. For this purpose, the solvent adsorption on the octadecyl stationary-bonded phase was investigated. Preferential adsorption of solvents from the acetonitrile-water mobile phase was modeled on the silica surface with one, two, three and four organic ligands, which represents a series of non-end-capped-bonded phases with different coverage density of bonded ligands. As a result of the computer simulation, the increase of adsorbed acetonitrile around bonded ligands is observed. The number of water molecules near the modeled surface is observed as well. The results are in agreement with experimental measurement of acetonitrile excess adsorption isotherms on the series of in-house made stationary-bonded phase.

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“…The density of this drop of solvent is 0.87 g/cm, which is comparable with the literature data for acetonitrile-water mixture of a given mass fraction at 298.15 K [49][50][51][52][53].…”

Section: Model Of Solvent Dropsupporting

confidence: 86%

Modeling solvation on the chemically modified silica surfaces

Buszewski

Bocian

Nowaczyk

2010

J of Separation Science

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“…This result supports the conclusions obtained previously [20,21] which indicate that the use of polynomials, such as those employed in the Redlich -Kister, in fitting experimental data might lead to inconsistencies in the calculation of magnitudes obtained by differentiation.…”

Section: Physics and Chemistry Of Liquidssupporting

confidence: 91%

“…[19] However, and as it has been previously discussed, [20,21] when derivatives of the fitted magnitude are to be obtained, the use of polynomials might lead to the appearance of singularities that actually are mathematical artefacts. Thus, in the case of density we rely on the use of the function: Physics and Chemistry of Liquids 3 where ρ i * is the density of pure i and ) Figure 2.…”

Section: Discussionmentioning

confidence: 99%

Density, sound velocity and refractive index in the water + 1,2-dimethoxyethane system

Grande

Juliá

Barrero

et al. 2014

Physics and Chemistry of Liquids

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Density, sound velocity and refractive index of binary mixtures of water + 1,2-dimethoxyethane mixtures were measured over the whole composition range and at the temperature interval from 293.15 to 323.15 K. Obtained density data for the pure components agree, within experimental error, with published values. However, in the case of binary mixtures, strong discrepancies with values calculated from the equation proposed in the literature for this system are found. Excess functions, isentropic compressibility coefficients and thermal expansion coefficients were calculated from experimental data. Partial molar volumes were obtained employing the exponential representation previously proposed by us which shows better results than the usual polynomial approach. Results are discussed on the grounds of the molecular characteristics obtained from Raman and NMR spectroscopy determinations on this system.

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“…The filtrates were diluted 100-fold in Milli-Q water prior to LC-MS=MS analysis and the acetonitrile extracts diluted 20-fold in Milli-Q water. For calculation purposes, the dilution factor for the acetonitrile extracts was obtained considering the thermodynamic properties of the mixtures water þacetonitrile at 20.0 C (293.15 K) and atmospheric pressure (del Carmen Grande et al 2006;Zarei, Lavasani, and Iloukhani 2008).…”

Section: Sample Pretreatmentmentioning

confidence: 99%

Monitoring Caffeine in Human Saliva Using a Newly Developed ELISA

et al. 2012

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Caffeine is a useful indicator to quickly assess liver function. High-throughput tests are needed for single-point caffeine measurements, with low cross-reactivity toward its major metabolite, paraxanthine. A newly developed ELISA was compared with an LC-MS/MS reference method, using 60 saliva samples from 10 individuals, before and after caffeine intake. Bland-Altman plot, Student t-test and F-test were used to compare the two methods. Proteins were precipitated using organic solvent and the caffeine recoveries compared with those obtained using sample microfiltration. The antibody, with a low cross-reactivity toward paraxanthine (0.08%), allows quantification of caffeine in saliva samples from 2.5 lg/L to 125 lg/L with high precision and the ELISA shows comparable results to those obtained by LC-MS/MS. A one-step protein precipitation using an organic solvent provides comparable results to a more costly and time-consuming microfiltration pre-treatment of samples. The new ELISA is a fit-for-purpose method to accurately and precisely determine caffeine in saliva samples.

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The (water+acetonitrile) mixture revisited: A new approach for calculating partial molar volumes

Cited by 37 publications

References 14 publications

Modeling solvation on the chemically modified silica surfaces

Modeling solvation on the chemically modified silica surfaces

Density, sound velocity and refractive index in the water + 1,2-dimethoxyethane system

Monitoring Caffeine in Human Saliva Using a Newly Developed ELISA

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