Author
Urszula Judycka
Bio: Urszula Judycka is an academic researcher from University of Gdańsk. The author has an hindex of 1, co-authored 3 publications receiving 5 citations.
Papers
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TL;DR: Results of the Principal Component Analysis suggest that size of molecules and their electronic and spectral characteristics are the key properties required to predict therapeutic relevance of the compounds examined and were used for developing the structure-activity classification model.
4 citations
TL;DR: In this paper, the Quantitative Property Retention Relation (QPRR) approach was applied to analyze the correlations between the retention parameters of ampholytic, biologically active substances and their physicochemical (predicted/spectral) characteristics.
Abstract: The Quantitative Property-Retention Relation (QPRR) approach was applied to analyze the correlations between the retention parameters of ampholytic, biologically active substances and their physicochemical (predicted/spectral) characteristics. The retention parameters were obtained for polar and semipolar HPLC columns at various compositions of mobile phases and pH conditions. These values are a unique collection of chromatographic parameters that are a measure of lipophilicity and, consequently, can be very helpful in assessing pharmacological potency of the compounds investigated. Three QPRR models that meet the predictive capability criteria were developed. The relationships can be used to gain pharmacologically interesting information on the biologically active ampholytic substances.
1 citations
TL;DR: These models create a useful platform for predicting retention parameters of untested chemicals and, to some extent, gaining pharmaceutically valuable information on the biologically active ampholytic substances based on their properties and the conditions of chromatographic separation.
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TL;DR: Recent research progress on the toxicological properties of ILs toward microorganisms and the computational prediction of various toxicity models are reviewed.
Abstract: Ionic liquids (ILs), a class of materials with unique physicochemical properties, have been used extensively in the fields of chemical engineering, biotechnology, material sciences, pharmaceutics, and many others. Because ILs are very polar by nature, they can migrate into the environment with the possibility of inclusion in the food chain and bioaccumulation in living organisms. However, the chemical natures of ILs are not quintessentially biocompatible. Therefore, the practical uses of ILs must be preceded by suitable toxicological assessments. Among different methods, the use of microorganisms to evaluate IL toxicity provides many advantages including short generation time, rapid growth, and environmental and industrial relevance. This article reviews the recent research progress on the toxicological properties of ILs toward microorganisms and highlights the computational prediction of various toxicity models.
47 citations
TL;DR: A case study of developing the QTTR model for ionic liquids in different toxicological tests against the same species, in the face of insufficient experimental data, and the benefit of applying the multi-objective genetic algorithm as a QSAR model feature selecting strategy is presented and discussed.
Abstract: Quantitative toxicity–toxicity relationship (QTTR) models have a great potential for improving the meaning of toxicological tests conducted on simple organisms. These models allow predicting the to...
17 citations
TL;DR: The contents of issues 5 and 6 of Structural Chemistry from the calendar year 2018 are summarized in the present review as discussed by the authors and a brief thermochemical commentary and recommendations for future research have been added to the summary of each paper.
Abstract: The contents of issues 5 and 6 of Structural Chemistry from the calendar year 2018 are summarized in the present review. A brief thermochemical commentary and recommendations for future research have been added to the summary of each paper.
1 citations
TL;DR: In this paper, the Quantitative Property Retention Relation (QPRR) approach was applied to analyze the correlations between the retention parameters of ampholytic, biologically active substances and their physicochemical (predicted/spectral) characteristics.
Abstract: The Quantitative Property-Retention Relation (QPRR) approach was applied to analyze the correlations between the retention parameters of ampholytic, biologically active substances and their physicochemical (predicted/spectral) characteristics. The retention parameters were obtained for polar and semipolar HPLC columns at various compositions of mobile phases and pH conditions. These values are a unique collection of chromatographic parameters that are a measure of lipophilicity and, consequently, can be very helpful in assessing pharmacological potency of the compounds investigated. Three QPRR models that meet the predictive capability criteria were developed. The relationships can be used to gain pharmacologically interesting information on the biologically active ampholytic substances.
1 citations
TL;DR: These models create a useful platform for predicting retention parameters of untested chemicals and, to some extent, gaining pharmaceutically valuable information on the biologically active ampholytic substances based on their properties and the conditions of chromatographic separation.