0000000000255715
AUTHOR
G.m. Antón Fos
showing 7 related works from this author
Theoretical prediction of the chemiluminescence behaviour of the ergot alkaloids
2004
Abstract The present manuscript is dealing with the application of molecular connectivity calculations to predict the chemiluminescent behaviour of ergot alkaloids when they react with common strong oxidants in liquid phase. Twenty compounds were theoretically studied by means of a discriminant equation formerly published, being 19 of them predicted as chemiluminescent with a high probability. Empirical confirmation of the chemiluminometric behaviour is performed with the few soluble and commercially available ergot alkaloids. On the basis of these results, a new FIA-direct chemiluminescent method is proposed for the determination of the ergot presenting the higher light emission, the pharm…
Prediction of the chemiluminescent behavior of pharmaceuticals and pesticides.
2001
The present paper deals with the first attempt to apply molecular connectivity calculations to predict a chemical property with analytical usefulness: the chemiluminescent behavior of substances when reacted with common oxidants in a liquid phase. Preliminary evidence when searching for new direct CL methods consisted of the examination of analyte reaction with a wide range of oxidants and media. This task, which results in time-consuming and trial-and-error expensive procedures, is necessary due to ensure empirical or theoretical rules for CL prediction are available. On the other hand, in quantitative structure-activity relationship studies, molecular connectivity is a topological method …
Photo-induced chemiluminescence-based determination of diphenamid by using a multicommuted flow system
2007
This manuscript deals with the application of molecular connectivity calculations to predict the photo-induced chemiluminescent behaviour of the family of herbicides grouped as amides. Several compounds of this group were theoretically studied by means of a general discriminant equation formerly obtained, being 18 of them (plus eight from the chloroacetanilide sub-group) predicted with a high probability as photo-induced chemiluminescent. Empirical confirmation of the chemiluminometric behaviour was performed with some few commercially available amide herbicides. On the basis of these results, a new multicommutation-photo-chemiluminescent method is proposed for the determination of the diph…
Quantitative colorimetric-imaging analysis of nickel in iron meteorites.
2011
A quantitative analytical imaging approach for determining the nickel content of metallic meteorites is proposed. The approach uses a digital image of a series of standard solutions of the nickel-dimethylglyoxime coloured chelate and a meteorite sample solution subjected to the same treatment as the nickel standards for quantitation. The image is processed with suitable software to assign a colour-dependent numerical value (analytical signal) to each standard. Such a value is directly proportional to the analyte concentration, which facilitates construction of a calibration graph where the value for the unknown sample can be interpolated to calculate the nickel content of the meteorite. The…
Molecular topology and chromatographic retention parameters for benzodiazepines
1992
Abstract The relationship between gas-liquid chromatographic (GLC) retention properties and R F values in thin-layer chromatography (TLC) with molecular connectivity indices, m X t , was investigated for a series of benzodiazepines using multiple correlation coefficients, standard errors of estimate, F -Snedecor function values and Student's t -test as the criteria for best equation selection. Regression analyses show that the molecular connectivity model predicts the retention properties in GLC with the polar stationary phase OV-17 at 280°C and the R F values in TLC with the stationary phase silica gel. However, zero- or second-order connectivity indices alone are not sufficient; higher-or…
Prediction of the chemiluminescent behaviour of phenols and polyphenols.
2002
Abstract A paper from this laboratory ‘J. Anal. Chem. 73 (2001) 4301’ was recently published and dealing with the first attempt to apply molecular connectivity calculations to predict a chemical property with analytical usefulness; namely, the chemiluminescent behaviour of substances when react with common strong oxidants in liquid phase. In the present work, the usefulness of molecular topology on the search for new chemiluminescent compounds is clearly demonstrated. The proposed discriminant equation, represented a success of 92.7% in the prediction. The present paper is the further step from the cited paper; it is dealing on the application of molecular connectivity calculations (former …
Use of QSAR methods for predicting the chemiluminescent behaviour of organic compounds upon reaction with potassium permanganate in an acid medium
2009
In previous work, molecular connectivity computations were successfully used to predict the chemiluminescent behaviour of organic compounds upon reaction with common strong oxidants and the native fluorescence too; both of them in a liquid phase. The obtained results were used to develop new analytical procedures to the given compounds. For the first time, connectivity methods were used for a purely analytical purpose. In this work, we went deeper into the knowledge of direct chemiluminescence processes by using molecular connectivity in the form of QSAR methods to predict the chemiluminescence intensity produced by reactions between organic compounds (pharmaceuticals mainly) and potassium …