Classification off the Solvent Properties of Common Liquids

Snyder, Lloyd R.

doi:10.1093/chromsci/16.6.223

Cited by 720 publications

(158 citation statements)

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“…In this model the opposite influence of Solubility parameter was obtained and Hydrophilic surface area occurs as relevant molecular descriptor. This is in accordance with mechanisms in reversed-phase thin-layer chromatography considering properties of applied organic modifiers in eluotropic series based on polarity parameters [22].…”

Section: Resultssupporting

confidence: 87%

Quantitative Structure-Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions

Perušković¹,

Stevanović²,

Lolić³

et al. 2014

AJAC

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The retention behavior and lipophilicity parameters of some antiphychotics were determined using reversed-phase thin layer chromatography. Quantitative structure-activity relationships studies have been performed to correlate the molecular characteristics of observed compounds with their retention as well as with their chromatographically determinated lipophilicity parameters. The effect of different organic modifiers (acetone, tetrahydrofuran, and methanol) has been studied. The retention of investigated compounds decreases linearly with increasing concentration of organic modifier. The chemical structures of the antipsychotics have been characterized by molecular descriptors which are calculated from the structure and related to chromatographically determinated lipophilicity parameters by multiple linear regression analysis. This approach gives us the possibility to gain insight into factors responsible for the retention as well as lipophilicity of the investigated set of the compounds. The most prominent factors affecting lipophilicity of the investigated substances are Solubility, Energy of the highest occupied molecular orbital, and Energy of the lowest unoccupied molecular orbital. The obtained models were used for interpretation of the lipophilicity of the investigated compounds. The prediction results are in good agreement with the experimental value. This study provides good information about pharmacologically important physico-chemical parameters of observed antipsychotics relevant to variations in molecular lipophilicity and chromatographic behavior. Established QSAR models could be helpful in design of novel multitarget antipsychotic compounds.

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Section: Resultssupporting

confidence: 87%

Quantitative Structure-Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions

Perušković¹,

Stevanović²,

Lolić³

et al. 2014

AJAC

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“…Therefore it was also used in our investigations. However, it is known [12] that CHCl 3 is rather strong donor of proton for hydrogen bond. Therefore, the usage of another solvent with more weak hydrogen bonding ability seemed to be more promising.…”

Section: Imprinting With Mecn As Porogenmentioning

confidence: 99%

“…Two other compositions of porogen are more favorable for the imprinting procedure. According to Snyder's classification of solvents [12], dichloroethane's propensity for hydrogen bonding is slightly weaker than that of MeCN. Probably because of this feature as well as its low polarity, the mixture of MeCN and dichloroethane may be considered an optimal porogen composition for the Tst-imprinted polymer.…”

Section: Study Of In¯uence Of Mobile Phase Compositionmentioning

confidence: 99%

Molecularly imprinted polymers as artificial steroid receptors

Rachkov

Cheong

El’skaya

et al. 1998

Polym. Adv. Technol.

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The polymers selective to six different steroids (testosterone, Δ4‐androstene‐3,17‐dione, 1,4‐androstadiene‐3,17‐dione, β‐estradiol, progesterone, testosterone propionate) have been synthesized using molecular imprinting based on noncovalent interactions. Analysis of the influence of structural features of the steroids under study has shown that molecules with a relatively rigid structure and the OH group at C‐17 position are the most efficient templates for methacrylic acid‐containing imprinted polymers. The chromatographic study of the polymers synthesized has demonstrated a strong dependence of the selectivity and intensity of interaction with analytes on the composition of solvents used both as porogen and chromatographic mobile phase. To obtain polymers with highly selective recognition sites and to create the optimal conditions for molecular recognition, all possible interactions (between template and functional monomer, template and solvent, solvent and functional monomer) should be taken into account. The batch rebinding study of testosterone by the imprinted polymer in acetonitrile has revealed some heterogeneity of recognition sites, and permitted determination of Kass = 1.05 × 104 M−1, ΔG° = −5.4 kcal/mol and N = 1.2 μmol/g for high‐affinity sites and Kass = 0.33 × 104 M−1, ΔG° = −4.8 kcal/mol and N = 2.2 μmol/g for low‐affinity sites. The results obtained show how it is possible to regulate in different modes the molecular recognition by imprinted polymers as well as to fabricate polymers possessing the necessary properties depending on their practical application.© 1998 John Wiley & Sons, Ltd.

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“…Silica is the most popular and least expensive adsorbent used in planar chromatography, and has an excellent separation power. In the first part of experiments, solvent systems for silica stationary phase were selected to assign the investigated pesticides to groups of compounds based on the solvent classification by Snyder (Snyder, 1978) and the ,Prisma Method' described by Nyiredy and coworkers (Dallenbach-Tölke et al, 1986;Nyiredy et al, 1988;Nyiredy et al, 1989;Nyiredy et al, 1995). For the selection of suitable mobile phases, the first experiments were carried out on TLC silica plates in unsaturated chromatographic chambers with ten solvents (diethyl ether, 2-propanol, ethanol, tetrahydrofuran, acetic acid, dichloromethane, ethyl acetate, dioxane, toluene, and chloroform) from the eight groups of Snyder's solvent-selectivity triangle for normal phase (NP) chromatography according to their properties as proton acceptors, proton donors, and their dipole interactions.…”

Section: Combination Of Multidimensional Planar Chromatography (Mdpc)mentioning

confidence: 99%

Multidimensional Chromatography in Pesticides Analysis

Tuzimski¹

2011

Pesticides - Strategies for Pesticides Analysis

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Classification off the Solvent Properties of Common Liquids

Cited by 720 publications

References 0 publications

Quantitative Structure-Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions

Quantitative Structure-Activity Relationship Study of Some Antipsychotics by Multiple Linear Regressions

Molecularly imprinted polymers as artificial steroid receptors

Multidimensional Chromatography in Pesticides Analysis

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