Tarkvara analüütiliste HPLC protseduuride valideerimiseks
Date
2013
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Tartu Ülikool
Abstract
Nii akadeemilised kui tööstusvaldkonnad vajavad pidevalt efektiivseid ja töökindlaid meetodeid erinevate ainete analüüsimiseks kõrgsurve vedelik-kromatograafia (HPLC) abil. Selleks, et olla kindlad, et need meetodid on sobivad selle jaoks, milleks nad on kavandatud ning oleksid nii töökindlad ja laialt kasutatavad kui võimalik, tuleb need meetodid valideerida sobivate valideerimisjuhendite abil. Valideerimisprotsess on tihti aja- ning töömahukas, mis hõlmab endas mitmeid samme: mahuka, kuid sageli üldise valideerimisjuhendi lugemine, parajasti asjakohast valideerimisjuhendi osade kindlaks tegemine, kindlate karakteristikute mõõtmine, kindlate statistiliste arvutuste tegemine kogutud andmete baasil ja viimaks valideerimisraporti koostamine. Kuna seda tööd tehakse käsitsi, siis kulutab see palju väärtuslikku aega ning raha, mida võiks kasutada tegelike analüütiliste protseduuride parendamiseks.
Selleks, et eeltoodud olukorda leevendada, loodi käesoleva magistritöö käigus tarkvaralise tööriista töötav prototüüp, mis aitab kasutajatel analüütilise protseduuri valideerimiseks kuluvat aega ning töövaeva kokku hoida. Prototüüp teostab ühe kindla valideerimisjuhendi (The International Conference of Harmonization Harmonized Tripartite Guideline) ja lubab kasutajatel luua valideerimiskirjeid, sisestada kindlate karakteristikute jaoks vajalikke andmeid, sooritada sisestatud andmetega statistilisi arvutusi ja luua eelnevalt sisestatud andmete ja arvutuste baasil lõpparuande. Tööriist on loodud laiendamisvõimalusi silmas pidades. Täpsemalt saab täiendavate konfiguratsioonifailide abil lisada uusi valideerimisjuhendeid ning samuti saab aruande genereerimiseks vajalikke komponente juurde lisada, et muuta tööriist uute nõudmiste jaoks sobivaks.
Laiendamisvõimalused on suuresti saavutatud, kasutades ära ideid dünaamiliste vormide genereerimiste mudelitest, mis lubavad väljade nähtavuse ja vormi täitmistingimuste defineerimist nii iga üksiku välja kui väljade grupi jaoks.
Kuna käesoleva magistritöö käigus loodud tarkvaralise tööriista järele on olemas reaalne vajadus, siis arendatakse seda edasi, lisades uusi valideerimisjuhendeid, implementeerides uut funktsionaalsust ning parendatakse üldist tarkvara kasutatavust.
There is a steady demand, both from academia and industry, for efficient and reliable procedures to analyze various substances by means of High-Performance Liquid Chro- matography (HPLC) equipment. To make sure these procedures are fit for the purpose they were designed for and also as reliable and widely usable as possible, they have to be validated against relevant validation guidelines. This validation process can be time consuming and tedious work, which contains many steps including reading lengthy and often general guidelines, deciding which parts of the guideline are relevant, measuring certain characteristics, performing certain statistical calculations on the gathered data and finally generating a validation report. As this work is done manually, it wastes a lot of valuable time and money which could be spent on improving the actual analytical procedure. To alleviate the current situation a working prototype of a software tool was created during this Master’s thesis which allows end-users to reduce time and effort needed for analytical procedure validation. The prototype implements one specific valida- tion guideline (The International Conference of Harmonization Harmonized Tripartite Guideline), and allows users to create validations, enter correct values for the specific characteristics, perform statistical calculations on the entered data and generate report based on the previously entered data and calculations. The tool has been designed with extensibility in mind. Specifically, additional guidelines can be added via configura- tion files while additional input validation and report generation components can be plugged into the tool in order to cope with additional requirements. Extensibility is to large extent achieved by borrowing ideas from dynamic forms specification models, which allow field visibility and form completion conditions to be defined by at the level of individual fields or groups of fields. As there is an actual need for the software tool that was created during this thesis, it will be developed further by adding new validation guidelines, implementing additional functionality and improving the overall usability of the software.
There is a steady demand, both from academia and industry, for efficient and reliable procedures to analyze various substances by means of High-Performance Liquid Chro- matography (HPLC) equipment. To make sure these procedures are fit for the purpose they were designed for and also as reliable and widely usable as possible, they have to be validated against relevant validation guidelines. This validation process can be time consuming and tedious work, which contains many steps including reading lengthy and often general guidelines, deciding which parts of the guideline are relevant, measuring certain characteristics, performing certain statistical calculations on the gathered data and finally generating a validation report. As this work is done manually, it wastes a lot of valuable time and money which could be spent on improving the actual analytical procedure. To alleviate the current situation a working prototype of a software tool was created during this Master’s thesis which allows end-users to reduce time and effort needed for analytical procedure validation. The prototype implements one specific valida- tion guideline (The International Conference of Harmonization Harmonized Tripartite Guideline), and allows users to create validations, enter correct values for the specific characteristics, perform statistical calculations on the entered data and generate report based on the previously entered data and calculations. The tool has been designed with extensibility in mind. Specifically, additional guidelines can be added via configura- tion files while additional input validation and report generation components can be plugged into the tool in order to cope with additional requirements. Extensibility is to large extent achieved by borrowing ideas from dynamic forms specification models, which allow field visibility and form completion conditions to be defined by at the level of individual fields or groups of fields. As there is an actual need for the software tool that was created during this thesis, it will be developed further by adding new validation guidelines, implementing additional functionality and improving the overall usability of the software.