Görbeillesztés nélküli komponensprofil-kinyerés az analitikai kémiában (MTA doktori értekezés összefoglaló) = Self-modeling curve resolution in analytical chemistry

Rajkó, Róbert (2024) Görbeillesztés nélküli komponensprofil-kinyerés az analitikai kémiában (MTA doktori értekezés összefoglaló) = Self-modeling curve resolution in analytical chemistry. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-), 130 (3-4). pp. 155-163. ISSN 1418-9933

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Abstract

Az analitikai kémiai mérések során jelentős esetben kapunk mátrixba vagy általánosan többdimenziós adattömbbe rendezhető mérési adatokat. Ezek kiértékelésére, rendszerezésére, elméleti vizsgálatára alakult ki az 1970-es évektől kezdve a kemometria mint kémiai diszciplína, melynek létrejötte Wold, Kowalski és Massart kutatók nevéhez kötődik. Említésre méltó, hogy Magyarországon az 1980-as évek elejétől szerveznek Kemometria elnevezésű szemináriumokat, szimpóziumokat, majd 1997-ben Conferentia Chemometrica ’97 néven az első hazánkban rendezett nemzetközi konferencia is sikeresen megvalósult. | Róbert Rajkó’s scientific endeavors have evolved significantly over the course of his career, encompassing a wide range of analytical and statistical methodologies. His research trajectory can be divided into several distinct phases. Early Career Focus: Initially, Rajkó concentrated on the evaluation of univariate and multivariate measurement data, as well as the mathematical statistical analysis of related calibration techniques. During this period, he employed both robust and traditional parameter estimation methods to enhance the accuracy and reliability of analytical results. Mid-Career Developments: As his research progressed, Rajkó shifted his focus towards: 1. Variable selection techniques 2. Quantitative Structure-Activity Relationship (QSAR) studies These areas of study allowed him to delve deeper into the relationships between chemical structures and their biological activities, contributing to the field of chemometrics. Recent Research Interests: In recent years, Rajkó has turned his attention to the theoretical examination and practical applicability of hidden-variable data evaluation and modeling procedures. His work primarily involves: – Two-dimensional (matrix) data arrays – Higher-dimensional (tensor) data structures This research has significant implications for the analysis of complex, multi-dimensional datasets in various scientific disciplines. Doctoral Dissertation and Expertise: Rajkó’s doctoral dissertation for the Hungarian Academy of Sciences showcases his expertise in the field of self-modeling curve resolution (SMCR), a pivotal area within chemometrics. The dissertation presents a coherent and concise compilation of 20 selected publications from 2005 to 2020, focusing on curve-fitting-free component profile extraction. His contributions to this field have earned him international recognition as an expert. Rajkó has published numerous scientific papers in leading journals, both as a sole author and in collaboration with prominent chemometricians, doctoral students, and young postdoctoral researchers from around the world. The Borgen-Rajkó Plots: A significant milestone in Rajkó’s career was the (re)creation of the Borgen-Rajkó plots in 2005. This innovation laid the foundation for numerous subsequent achievements in the realm of analytical measurement problems that can only be solved through band solutions. The term “Borgen-Rajkó plots” has gained traction in the scientific community, with an increasing number of independent authors adopting and referencing this concept in their work. In conclusion, Róbert Rajkó’s scientific contributions have significantly advanced the field of chemometrics, particularly in the areas of data analysis, curve resolution, and component profile extraction. His work continues to influence and shape the landscape of analytical chemistry and related disciplines.

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