Special Issue "Quantitative Structure–Retention Relationships and Related Methods in Separation Science: In Memory of Prof. Roman Kaliszan"
Deadline for manuscript submissions: 15 June 2021.
Interests: Chromatography; chemometrics; QSRRs; QSARs; drug design; molecular dynamics
Interests: Chromatography; bioanalysis; chemometrics; QSRRs; QSARs; drug design; 3D printing
Interests: Pharmaceutical and biomedical analysis; bioanalytics; proteomics; chemometrics and medicinal chemistry
Interests: environmental analysis; chromatography and related techniques (HPLC, SPE, GC, CZE, adsorption, and sample preparation); spectroscopy; utilization of waste and sludge and chemometrics
RP-HPLC accounts for >90% of separations in modern analytical laboratories, and prediction of retention time in RP-HPLC has become routine for chromatographic method development. Quantitative structure–(chromatographic) retention–relationships (QSRRs) modelling and related methods can be used for that purpose and have found a variety of applications: (i) Identification of most useful structural descriptors related to the retention mechanism; (ii) prediction of retention for new analytes and identification of unknown ones; (iii) quantitative comparison of separation properties of different chromatographic columns; and (iv) evaluation of physical properties, such as lipophilicity, dissociation constants, or relative bioactivities of xenobiotics; among others.
This Special Issue aims to honor the memory of Prof. Dr. Roman Kaliszan, a pioneer of QSRRs. Prof. Kaliszan published two seminal books and several highly cited reviews on the subject. He was a (co-)author of ~300 full length articles published in globally recognized journals on general chemistry (e.g., Chemical Reviews), medicinal chemistry (e.g., Journal of Medicinal Chemistry), analytical chemistry (e.g., Analytical Chemistry; Biosensors and Bioelectronics), bioinformatics (e.g., Proteomics; Journal of Proteome Research), and many others.
In memoriam Prof. Dr. Roman Kaliszan
With kind regards,
Dr. Petar Žuvela
Dr. Mariusz Belka
Prof. Dr. Tomasz Bączek
Prof. Dr. Bogusław Buszewski
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