J 2005

Optimization of high performance liquid chromatography separation of neuroprotective peptides. Fractional experimental design combined with Artificial neural networks

HAVLIŠ, Jan, Klára NOVOTNÁ and Josef HAVEL

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

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10406 Analytical chemistry

Country of publisher

Netherlands

Confidentiality degree

není předmětem státního či obchodního tajemství

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

International impact, Reviewed
Změněno: 2/7/2009 18:59, doc. Mgr. Jan Havliš, Dr.

Abstract

V originále

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.

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 project
Name: 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 project
Name: 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