High resolution gas chromatographic relative retention time (HRGC-RRT) models were developed to predict relative retention times of the 209 individual polychlorinated biphenyls (PCBs) congeners. To estimate and predict the HRGC-RRT values of all PCBs on 18 different stationary phases, a multiple linear regression equation of the form RRT = a(o) + a(1) (no. o-Cl) + a(2) (no. m-Cl) + a(3) (no. p-...

In this work multiple linear regression (MLR) and artificial neural network (ANN) were used to predict the retention factors of 40 basic and neutral drugs in immobilized artificial membrane liquid chromatography. Two separate models were developed for prediction of solute retention in two mobile phase compositions which were used five identical descriptors. The standard errors in ANN calculatio...

Quantitative structure-retention relationships (QSRRs) are used to correlate paper chromatographic retention factors of disperse dyes with theoretical molecular descriptors. A data set of 23 compounds with known RF values was used. The genetic algorithm-multiple linear regression analysis (GA-MLR) with three selected theoretical descriptors was obtained. The stability and predictability of the ...

Due to the importance of amino acids (AAs) as basic bricks proteins and their application in drug food industries, there is great interest separation identification using simple inexpensive approaches. Application predictive models for determination behavior AAs can reduce trial-and-error experiments. Herein, retardation factor (RF) 21 protein were studied quantitative structureretardation (QSR...

Vilma Edite Fonseca Heinzen1*, Berenice da Silva Junkes2, Carlos Alberto Kuhnen3 and Rosendo Augusto Yunes1 1Department of Chemistry, Federal University of Santa Catarina, University Campus, Trindade, Florianópolis, Santa Catarina, 2Federal Institute of Education, Science and Technology of Santa Catarina, Mauro Ramos Avenue, No. 950, Center, Florianópolis, SC, 3Department of Physics, Federal Un...

Customer activity has received more attention due to the increase of social network applications. Moreover, customer activity could be an answer to the research debate about the significant relationship between retention rate and lifetime profitability of customers. Several researchers believe that an increase in the retention rate of customers may enhance their customer lifetime value (CLV), o...

Defining the interaction of newly synthesized compounds with plasma proteins is an important step in drug development process. Chromatographic techniques can be successfully used predicting biopharmaceutical and pharmacokinetic properties compounds. The aim this study to investigate isolate most molecular that affect 20 chalcones commercial (lopinavir, ritonavir, darunavir ivermectin) human ser...

Quantitative structure-reactivity relationships (QSRR) are deduced for kinetic chain-transfer constants for 90 agents on styrene polymerization at 60 degrees C. Three- and five-parameter correlations were obtained with R2 of 0.725 and 0.818, respectively. The descriptors involved in the correlations are consistent with the proposed mechanism of the chain-transfer reactions.

Citalopram (CTR) is a worldwide highly consumed antidepressant which has demonstrated incomplete removal by conventional wastewater treatment. Despite its global ubiquitous presence in different environmental compartments, little is known about its behaviour and transformation processes during wastewater treatment. The present study aims to expand the knowledge on fate and transformation of CTR...