نتایج جستجو برای: qsrr
تعداد نتایج: 97 فیلتر نتایج به سال:
A new liquid chromatographic (LC) method for simultaneous determination of lidocaine hydrochloride (LH) and tribenoside (TR) along with their related compounds in pharmaceutical preparations is described. Satisfactory LC separation of all analytes after the liquid-liquid extraction (LLE) procedure with ethanol was performed on a C18 column using a gradient elution of a mixture of acetonitrile a...
The performance of several previously designed model series of test analytes has been tested to characterize in an objective, quantitative manner modern stationary phases for reversed-phase high-performance liquid chromatography (RP-HPLC) using quantitative structure-retention relationships (QSRRs). Three QSRR approaches and three respective series of test analytes recommended for studies of th...
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...
This study examines the effect of different salt types on protein retention and selectivity in anion exchange systems. Particularly, linear retention data for various proteins were obtained on two structurally different anion exchange stationary-phase materials in the presence of three salts with different counterions. The data indicated that the effects are, for the most part, nonspecific, alt...
Quantitative structure-retention relationship (QSRR) analysis is a useful technique capable of relating chromatographic retention time to the chemical structure of a solute. A QSRR study has been carried out on the reversed-phase high-performance liquid chromatography retention times (log tR) of 62 diverse drugs (painkillers) by using molecular descriptors. Multiple linear regression (MLR) is u...
Gas chromatography (GC) and two-dimensional GC (GC-GC) are widely used for separation, structure elucidation and quantitative analysis. In GC and GC-GC, the chemical structure is elucidated by comparing the measured retention time of each compound with the database. But, structure elucidation is infeasible when the retention time is not available from the database. Thus, quantitative structure ...
In the present work, an artificial neural network (ANN) model was used to study the quantitative structure retention relationship (QSRR) of retention index (RI) of some volatile compounds in natural cocoa and conched chocolate powder. Molecular structural descriptors are selected using genetic algorithm to construct the nonlinear QSRR models, kernel partial least squares PLS (KPLS) and Levenber...
Quantitative structure-retention relationship (QSRR) approaches, based on molecular connectivity indices are useful to predict the gas chromatography of Kováts relative retention indices (GC-RRIs) of 132 volatile organic compounds (VOCs) on different 12 (4 apolar and 8 polar) stationary phases (C(67), C(103), C(78), C(∞), POH, TTF, MTF, PCL, PBR, TMO, PSH and PCN) at 130 °C. Full geometry optim...
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.
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