HAVLIŠ, Jan, Klára NOVOTNÁ and Josef HAVEL. Optimization of high performance liquid chromatography separation of neuroprotective peptides. Fractional experimental design combined with Artificial neural networks. Journal of Chromatography A. Elsevier B.V., 2005, vol. 1096, 1-2, p. 50-57. ISSN 0021-9673.
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Basic information
Original name Optimization of high performance liquid chromatography separation of neuroprotective peptides. Fractional experimental design combined with Artificial neural networks
Name in Czech Optimalizace separace neuroprotektivních peptidů vysoko-účinnou kapalinovou chromatografií. Dílčí plány pokusů kombinované s Umělými neuronovými sítěmi
Authors HAVLIŠ, Jan (203 Czech Republic, guarantor), Klára NOVOTNÁ (203 Czech Republic) and Josef HAVEL (203 Czech Republic).
Edition Journal of Chromatography A, Elsevier B.V. 2005, 0021-9673.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 10406 Analytical chemistry
Country of publisher Netherlands
Confidentiality degree is not subject to a state or trade secret
Impact factor Impact factor: 3.096
RIV identification code RIV/00216224:14310/05:00019956
Organization unit Faculty of Science
UT WoS 000233672100006
Keywords in English optimisation of separation; artificial neural networks; ANN; experimental design; fractional experimental design; neuroprotective peptides; HPLC; liquid chromatography
Tags ANN, artificial neural networks, experimental design, fractional experimental design, HPLC, liquid chromatography, neuroprotective peptides, optimisation of separation
Tags International impact, Reviewed
Changed by Changed by: doc. Mgr. Jan Havliš, Dr., učo 743. Changed: 2/7/2009 18:59.
Abstract
The study of experimental design conjunction with artificial neural networks for optimisation of isocratic ion-pair reverse phase HPLC separation of neuroprotective peptides is reported. Different types of experimental designs (full-factorial, fractional) were studied as suitable input and output data sources for ANN training and examined on mixtures of humanin derivatives. The independent input variables were: composition of mobile phase, including its pH, and column temperature. In case of a simple mixture of two peptides, the retention time of the most retentive component and resolution were used as the dependent variables (outputs). In case of a complex mixture with unknown number of components, number of peaks, sum of resolutions and retention time of ultimate peak were considered as output variables. Fractional factorial experimental design has been proved to produce sufficient input data for ANN approximation and thus further allowed decreasing the number of experiments necessary for optimisation. After the optimal separation conditions were found, fractions with peptides were collected and their analysis using off-line matrix assisted laser desorption/ionisation time of flight mass spectrometry (MALDI-TOF-MS) was performed.
Abstract (in Czech)
The study of experimental design conjunction with artificial neural networks for optimisation of isocratic ion-pair reverse phase HPLC separation of neuroprotective peptides is reported. Different types of experimental designs (full-factorial, fractional) were studied as suitable input and output data sources for ANN training and examined on mixtures of humanin derivatives. The independent input variables were: composition of mobile phase, including its pH, and column temperature. In case of a simple mixture of two peptides, the retention time of the most retentive component and resolution were used as the dependent variables (outputs). In case of a complex mixture with unknown number of components, number of peaks, sum of resolutions and retention time of ultimate peak were considered as output variables. Fractional factorial experimental design has been proved to produce sufficient input data for ANN approximation and thus further allowed decreasing the number of experiments necessary for optimisation. After the optimal separation conditions were found, fractions with peptides were collected and their analysis using off-line matrix assisted laser desorption/ionisation time of flight mass spectrometry (MALDI-TOF-MS) was performed.
Links
GA203/02/1103, research and development projectName: Umělé neuronové sítě a plánování pokusů v analytické chemii, zejména v separačních metodách
Investor: Czech Science Foundation, Artificial neural networks and experimental design in analytical chemistry, especially in separation methods
GA305/03/1100, research and development projectName: Syntéza a studium neuroprotektivních peptidů odvozených od humaninu
MSM 143100011, plan (intention)Name: Struktura a vazebné poměry, vlastnosti a analýza syntetických a přírodních molekulových ansamblů
Investor: Ministry of Education, Youth and Sports of the CR, Structure and character of bonding, properties and analysis of synthetic and natural molecular ensembles
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