scholarly journals Estimation of chromatographic lipophilicity of some D-homo androstene derivatives

2015 ◽  
pp. 249-258
Author(s):  
Nada Perisic-Janjic ◽  
Katarina Penov-Gasi ◽  
Evgenija Djurendic ◽  
Marina Savic ◽  
Strahinja Kovacevic ◽  
...  
Keyword(s):  
High Performance ◽  
Predictive Ability ◽  
Reversed Phase ◽  
Chromatographic Retention ◽  
Acetone Water ◽  
Validation Parameters ◽  
Structure Retention ◽  
Leave One Out ◽  
Layer Chromatography ◽  
Quantitative Structure Retention Relationship

Quantitative structure-retention relationship (QSRR) method was applied to study the chromatographic behaviour of D-homo-androstene derivatives 1-7. Retention constants (RM 0) of the analysed derivatives were determined by reversed-phase high-performance thin-layer chromatography (RP HPTLC) on C18 plates by using four mobile phase mixtures: methanol-water, acetone-water, acetonitrile-water, and dioxane-water. Correlation analysis based on multiple regression method was applied in order to model chromatographic retention by means of nine different lipophilicity descriptors (logP). The developed QSRR models were cross-validated and high-quality validation parameters were obtained by leave-one-out method. It was found that the derived QSRR models have a good predictive ability.

scholarly journals Chemometric estimation of the retention behavior of selected estradiol derivatives

2015 ◽  
pp. 219-227 ◽  
Author(s):  
Milica Karadzic ◽  
Davor Loncar ◽  
Lidija Jevric ◽  
Sanja Podunavac-Kuzmanovic ◽  
Strahinja Kovacevic ◽  
...  
Keyword(s):  
High Performance ◽  
Predictive Ability ◽  
Chromatographic Behavior ◽  
Retention Behavior ◽  
Statistical Parameters ◽  
Estradiol Derivatives ◽  
Structure Retention ◽  
Layer Chromatography ◽  
Quantitative Structure Retention Relationship

Quantitative structure-retention relationship (QSRR) analysis has been performed in order to correlate the retention of selected estradiol derivatives with their calculated molecular lipophilicity. The lipophilicity descriptors were derived computationally and most important were selected. Linear regression (LR) Wad used for model establishing. Statistical quality of the generated models was determined by standard statistical and crossvalidation statistical parameters. Statistically significant and physically meaningful models were obtained. The prediction results are very well correlated with the experimentally observed data. Given predictive ability of the established models indicates that they could be used for predicting the chromatographic behavior of the similar molecules in normal-phase high-performance thin-layer chromatography.

scholarly journals Rapid, Highly-Sensitive and Ecologically Greener Reversed-Phase/Normal-Phase HPTLC Technique with Univariate Calibration for the Determination of Trans-Resveratrol

Separations ◽  
2021 ◽  
Vol 8 (10) ◽  
pp. 184
Author(s):  
Prawez Alam ◽  
Faiyaz Shakeel ◽  
Mohammed H. Alqarni ◽  
Ahmed I. Foudah ◽  
Mohammed M. Ghoneim ◽  
...  
Keyword(s):  
Mobile Phase ◽  
High Performance ◽  
Reversed Phase ◽  
Normal Phase ◽  
Commercial Formulation ◽  
Highly Sensitive ◽  
Validation Parameters ◽  
Layer Chromatography ◽  
Chloroform Methanol

The rapid, highly-sensitive and ecologically greener reversed-phase (RP)/normal-phase (NP) high-performance thin-layer chromatography (HPTLC) densitometric technique has been developed and validated for the determination of trans-resveratrol (TRV). The reversed-phase HPTLC-based analysis of TRV was performed using ethanol–water (65:35, v v−1) combination as the greener mobile phase, while, the normal-phase HPTLC-based estimation of TRV was performed using chloroform–methanol (85:15, v v−1) combination as the routine mobile phase. The TRV detection was carried out at 302 nm for RP/NP densitometric assay. The linearity was recorded as 10–1200 and 30–400 ng band−1 for RP and NP HPTLC techniques, respectively. The RP densitometric assay was observed as highly-sensitive, accurate, precise and robust for TRV detection in comparison with the NP densitometric assay. The contents of TRV in commercial formulation were recorded as 101.21% utilizing the RP densitometric assay, while, the contents of TRV in commercial formulation were found to be 91.64% utilizing the NP densitometric assay. The greener profile of RP/NP technique was obtained using the analytical GREEnness (AGREE) approach. The AGREE scales for RP and NP densitometric assays were estimated 0.75 and 0.48, respectively. The recorded AGREE scale for the RP densitometric assay indicated that this technique was highly green/the ecologically greener compared to the NP densitometric assay. After successful optimization of analytical conditions, validation parameters, AGREE scale and chromatography performance, the RP densitometric assay with univariate calibration was found to be better than the NP densitometric assay for the analysis of TRV.

scholarly journals Simultaneous Determination of Caffeine and Paracetamol in Commercial Formulations Using Greener Normal-Phase and Reversed-Phase HPTLC Methods: A Contrast of Validation Parameters

Molecules ◽  
2022 ◽  
Vol 27 (2) ◽  
pp. 405
Author(s):  
Prawez Alam ◽  
Faiyaz Shakeel ◽  
Abuzer Ali ◽  
Mohammed H. Alqarni ◽  
Ahmed I. Foudah ◽  
...  
Keyword(s):  
Thin Layer ◽  
Simultaneous Determination ◽  
High Performance ◽  
Analytical Techniques ◽  
Reversed Phase ◽  
Normal Phase ◽  
Validation Parameters ◽  
Analytical Approaches ◽  
Layer Chromatography

There has been no assessment of the greenness of the described analytical techniques for the simultaneous determination (SMD) of caffeine and paracetamol. As a result, in comparison to the greener normal-phase high-performance thin-layer chromatography (HPTLC) technique, this research was conducted to develop a rapid, sensitive, and greener reversed-phase HPTLC approach for the SMD of caffeine and paracetamol in commercial formulations. The greenness of both techniques was calculated using the AGREE method. For the SMD of caffeine and paracetamol, the greener normal-phase and reversed-phase HPTLC methods were linear in the 50–500 ng/band and 25–800 ng/band ranges, respectively. For the SMD of caffeine and paracetamol, the greener reversed-phase HPTLC approach was more sensitive, accurate, precise, and robust than the greener normal-phase HPTLC technique. For the SMD of caffeine paracetamol in commercial PANEXT and SAFEXT tablets, the greener reversed-phase HPTLC technique was superior to the greener normal-phase HPTLC approach. The AGREE scores for the greener normal-phase and reversed-phase HPTLC approaches were estimated as 0.81 and 0.83, respectively, indicated excellent greenness profiles for both analytical approaches. The greener reversed-phase HPTLC approach is judged superior to the greener normal-phase HPTLC approach based on numerous validation parameters and pharmaceutical assays.

scholarly journals Highly Sensitive and Ecologically Sustainable Reversed-Phase HPTLC Method for the Determination of Hydroquinone in Commercial Whitening Creams

Processes ◽  
2021 ◽  
Vol 9 (9) ◽  
pp. 1631
Author(s):  
Mohammed H. Alqarni ◽  
Prawez Alam ◽  
Faiyaz Shakeel ◽  
Ahmed I. Foudah ◽  
Sultan Alshehri
Keyword(s):  
Analytical Method ◽  
High Performance ◽  
Solvent System ◽  
Reversed Phase ◽  
Highly Sensitive ◽  
Validation Parameters ◽  
Ecologically Sustainable ◽  
Layer Chromatography ◽  
Hptlc Method

Hydroquinone (HDQ) is a natural depigmenting agent, which is commonly used in skin-toning preparations. The safety and greenness of analytical methods of HDQ quantification were not considered in previous literature. Therefore, a highly sensitive and ecologically greener reversed-phase high-performance thin-layer chromatography (RP-HPTLC)-based assay was established for HDQ estimation in four different commercial whitening creams (CWCs). The binary ethanol–water (60:40, v·v−1) mixture was utilized as the green solvent system. The estimation of HDQ was carried out at 291 nm. The present RP-HPTLC-based assay was linear in the 20–2400 ng band−1 range. The present analytical method was highly sensitive based on the detection and quantification data. The other validation parameters, such as accuracy, precision, and robustness, were also suitable for the determination of HDQ. Maximum HDQ quantities were obtained in CWC A (1.23% w·w−1) followed by CWC C (0.81% w·w−1), CWC D (0.43% w·w−1), and CWC B (0.37% w·w−1). The analytical GREEnness (AGREE) score for the present analytical method was estimated as 0.91, indicating the excellent greener characteristics of the present RP-HPTLC assay. These results suggest that the present analytical method is highly sensitive and ecologically sustainable for the quantitation of HDQ in its commercial formulations.

scholarly journals Predicting retention indices of PAHs in reversed-phase liquid chromatography: A quantitative structure retention relationship approach

2020 ◽  
pp. 19-19
Author(s):  
Nabil Bouarra ◽  
Nawel Nadji ◽  
Loubna Nouri ◽  
Amel Boudjemaa ◽  
Khaldoun Bachari ◽  
...  
Keyword(s):  
Liquid Chromatography ◽  
External Validation ◽  
Reversed Phase ◽  
Retention Indices ◽  
Chromatographic Retention ◽  
Quantitative Structure ◽  
Statistical Parameters ◽  
Statistical Validation ◽  
Structure Retention ◽  
Quantitative Structure Retention Relationship

In this work, the liquid chromatography retention time in monomeric and polymeric stationary phases of PAHs was investigated. Quantitative structure retention relationship approach has been successfully performed. At first, 3224 molecular descriptors were calculated for the optimized PAHs structure using Dragon software. Afterwards, the modelled dataset was divided using the CADEX algorithm into two subsets for internal and external validation. The genetic algorithm-based on a multiple linear regression was used for feature selection of the most significant descriptors and the model development. The selected models included five descriptors: nCIR, GGI3, GGI4, JGT, and DP14 were used for the monomeric column and nR10, EEig01x, L1m, H5v, HATS6v were introduced for the polymeric column. Robustness and predictive performance of the suggested models were verified by both internal and external statistical validation. The good quality of the statistical parameters indicates the stability and predictive power of the suggested models. This study demonstrated that the suitability of the established models in the prediction of liquid chromatographic retention indices of PAHs.

scholarly journals RETENTION BEHAVIOR AND BIOLOGICAL ACTIVITY OF N-SUBSTITUTED-2-PHENYLACETAMIDE DERIVATES

2014 ◽  
Vol 5 (1) ◽  
Author(s):  
Đenđi Vaštag ◽  
Suzana Apostolov ◽  
Borko Matijević ◽  
Jelena Nakomčić ◽  
Aleksandar Marinković
Keyword(s):  
Biological Activity ◽  
Biological Activities ◽  
Biological Properties ◽  
Reversed Phase ◽  
Chromatographic Retention ◽  
Wide Range ◽  
Structure Retention ◽  
The Mathematical Model ◽  
The Relationship ◽  
Layer Chromatography

Phenylacetamide derivatives are a group of compounds that exhibit a wide range of biological activities as analgetic, anticonvulsant, pesticide, cytostatic. It is well known that the biological activity and the field of activity of the substance are greatly dependent on its physical, chemical and structural properties. In this paper, we applied QSRR analysis (Quantitative Structure Retention Relationships), which is based on the prediction of biological properties of compounds based on their chromatographic retention behaviors. To that end, retention constants of investigated N-substituted-2-phenylacetamide were determined by reversed phase thin-layer chromatography, (HPTLC RP18 F254s) in the presence of different volume fractions of n-propanol and tetrahydrofuran. The resulting data were correlated with molecular descriptors determined in different ways in order to establish the mathematical model that describes the relationship between retention properties and biological activities of investigated phenylacetamides.

scholarly journals Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors

2011 ◽  
pp. 231-239 ◽  
Author(s):  
Lidija Jevric ◽  
Gordana Koprivica ◽  
Nevena Misljenovic ◽  
Aleksandra Tepic ◽  
Tatjana Kuljanin ◽  
...  
Keyword(s):  
Linear Regression ◽  
Molecular Descriptors ◽  
Reversed Phase ◽  
Quantitative Structure ◽  
Mobile Phases ◽  
Physico Chemical ◽  
Triazine Derivatives ◽  
Structure Retention ◽  
Layer Chromatography ◽  
Quantitative Structure Retention Relationship

In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relationships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.

Sign in / Sign up

Export Citation Format

Share Document