Computerized design of separation strategies by reversed-phase liquid chromatography: development of DryLab software

Molnár, Imre

doi:10.1016/s0021-9673(02)00731-8

Cited by 180 publications

(83 citation statements)

References 83 publications

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“…With the input data of training runs the software evaluates the resolution, R s , as a function of one or two chromatographic parameters for each peak pair. A "critical resolution map" is produced by plotting smallest value of resolution of any two critical peaks as a function of one or two varied experimental parameters revealing not only the optimum chromatographic conditions but also the robust regions of an HPLC method [43].…”

Section: Optimization Of Hplc Methodsmentioning

confidence: 99%

Chemometric-assisted determination of some bisphosphonates and their related substances in pharmaceutical forms by ion chromatography with inverse UV detection

Zirojević

Jovic

Djurdjevic

et al. 2015

Acta Chromatographica

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Summary.A simple ion chromatographic (IC) method was developed and validated for simultaneous or individual determination of zoledronic, alendronic, pamidronic acids and their related substances in pharmaceutical formulation. The analytes were separated on Waters IC-Pak Anion HR analytical column with a nitric acid (3 mM) without any other additives, as mobile phase at a flow rate of 1.0 mL min −1 . Inverse UV detection was used at 240 nm. Important chromatographic factors that influence the chromatography responses were screened by 11/12 Pluckett-Burman design and their interaction were assayed by 2 3 full factorial design. The RP-HPLC method was optimized with the aid of LC-Simulator ® (ACD Labs, Toronto, Ontario, Canada) software. Validated method was successfully used for quantitative analysis of PAMIFOS ® , concentrate for infusion (Habitfarm AD, Ivanjica, Serbia), ZOMETA ® , powder for infusion (Novartis Pharma, Stein AG, Switzerland) and BONAP ® tablets (Hemofarm, Vrsac, Serbia). Total chromatographic analysis time per sample was approximately 6 min, which represents significant improvement over existing methods. Validation studies revealed that the method is specific, rapid, reliable, and reproducible. Calibration plots were linear over the concentration ranges 20-120 μg mL −1 and 0.1-2 μg mL −1 for bisphosponates and their related substances, respectively. The LODs were 8.7, 4.7, 2.5, 0.026 and 0.011 μg mL −1 for alendronate, pamidronate, zoledronate, phosphoric acid and phosphorous acid, respectively.

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Section: Optimization Of Hplc Methodsmentioning

confidence: 99%

Chemometric-assisted determination of some bisphosphonates and their related substances in pharmaceutical forms by ion chromatography with inverse UV detection

Zirojević

Jovic

Djurdjevic

et al. 2015

Acta Chromatographica

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“…The development of gradient methods with conventional HPLC can be complex and often requires time-consuming gradient screens with computer-assisted development. Molnar discusses the general strategy for computer-supported gradient method development in DryLab [13].…”

Section: High Productivity Applicationsmentioning

confidence: 99%

The role of UHPLC in pharmaceutical development

Chesnut

Salisbury²

2007

J of Separation Science

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Pharmaceutical separations can be divided into three categories: high throughput, high productivity, and high resolution. These categories contain specific pharmaceutical applications, each of which has distinct separation goals. Traditionally, these goals have been achieved utilizing conventional HPLC with typical column dimensions and particle sizes. The recent introduction of ultra-HPLC (UHPLC) has provided a new potential for method development and analysis. Pharmaceutical chemists must determine the impact of this emerging technology. UHPLC is achieved by using sub-2 microm particle size column packing at increased linear velocities. In order to utilize this technology, mobile phase viscosity must be minimized or the chromatography system must be redesigned to withstand an increased backpressure. Today, there are many commercially available UHPLC systems capable of exceeding conventional pressure limits of 400 bar. The advantage of UHPLC over conventional HPLC is the capability to increase the speed without sacrificing efficiency. In comparison to traditional HPLC, our research showed that UHPLC can decrease run times up to 7 x. In addition, for high resolution applications, UHPLC achieved significant efficiency advantages over traditional HPLC. This paper will evaluate the potential roles for utilizing UHPLC in the pharmaceutical industry.

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“…(iii) The migration times were entered into the Drylab  program, and choosing the area with the highest resolution in the calculated 3-D resolution map optimized the separation [21][22][23][24]. The retention times or retention factors are adapted by a cubic fit (polynom containing linear and quadratic terms) to predict the 3-D resolution map [25][26][27].…”

Section: Optimization Of Separationmentioning

confidence: 99%

“…Furthermore, different strategies for optimization of the separation were investigated. The compounds were divided into five subgroups and each group was optimized separately by maximizing the selectivity of the critical peak pair using response surface plots in MODDE, by calculating the chromatographic response function (CRF) [10][11][12][13], chromatographic resolution statistic (CRS) [10,14], chromatographic exponential function (CEF) [10,[15][16], chromatographic optimization function (COF) [10,17], arcs tangens resolution (ATR) [18], resolution product (Rp) [19] and relative resolution product (r) [20], and by using the software DryLab  [21][22][23][24][25][26][27]. CRF, CEF, COF, ATR, and r have all been used for optimization of separation in electrodriven techniques.…”

Section: Introductionmentioning

confidence: 99%

Microemulsion electrokinetic chromatography of drugs varying in charge and hydrophobicity Part II: Strategies for optimization of separation

2004

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The separation of anionic, cationic, and neutral drugs in microemulsion electrokinetic chromatography (MEEKC) was studied. The concentration of sodium dodecyl sulfate (SDS; surfactant) and 2-propanol (organic solvent) was varied in a three-level full factorial design. 29 different model substances were chosen with different hydrophobicities and charges (neutral, positive, and negative). The models were calculated by means of multiple linear regression (MLR). The compounds were divided into five different subgroups, and different strategies for optimization of the separation within each group were investigated. The optimization was done by maximizing the selectivity using response surface plots in MODDE, by calculation of different chromatographic functions, and by using the software DryLab. For all the different groups, MODDE, almost all chromatographic functions and DryLab gave approximately the same settings of the factors for optimum separation. Attempts were made to fit descriptors of the compounds to the retention data from the three-level full factorial design by means of partial least squares projection to latent structures (PLS). Between 86 and 89% of all predictions of migration times were acceptable (80-120% of the observed value).

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Computerized design of separation strategies by reversed-phase liquid chromatography: development of DryLab software

Cited by 180 publications

References 83 publications

Chemometric-assisted determination of some bisphosphonates and their related substances in pharmaceutical forms by ion chromatography with inverse UV detection

Chemometric-assisted determination of some bisphosphonates and their related substances in pharmaceutical forms by ion chromatography with inverse UV detection

The role of UHPLC in pharmaceutical development

Microemulsion electrokinetic chromatography of drugs varying in charge and hydrophobicity Part II: Strategies for optimization of separation

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