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High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC

Giacomo Russo, Ardiana Kajtazi (UGent) , Maura Vallaro, Pieter Surmont (UGent) , Giuseppe Ermondi, Scott Anderson, Lucia Grumetto, Giulia Caron and Frederic Lynen (UGent)
(2023) JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. 235.
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Abstract
The charge state of a molecule is the single most prominent attribute ruling out its interactions with the surrounding environment. In a previous study, the retention of acids on the new CelerisTM Arginine (ARG) column was found to be predominantly driven by electrostatics and, specifically, their charge state. Therefore, we analysed 41 compounds in liquid chromatography with ultraviolet detection to study possible relationships between the analytical retention on this phase and the pKa of the acidic solutes. Highly significant relationships were observed indicating either a linear (r2 = 0.86) or a quadratic (r2= 0.89) trend. To improve the throughput of the method, this was transferred to LC mass spectrometry, allowing the analysis of a molecule every 3 mins. The developed method was found to be fast, reliable, accurate, easily automatable and simple to set up. Finally, the analytical column's being industrially manufactured and commercially available offers broad applicability.
Keywords
PKa assessment, Dissociation constant, Arginine stationary phase, Acidity, High throughput analysis, DISSOCIATION-CONSTANT, PK(A), PH, ELECTROPHORESIS, HYDROPHOBICITY, LIPOPHILICITY, SPECTRA, WATER

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MLA
Russo, Giacomo, et al. “High-Throughput and Reliable Assessments of the Ionization Constant of Monoprotic Organic Acids through an Arginine Based Mixed Mode HPLC.” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 235, 2023, doi:10.1016/j.jpba.2023.115604.
APA
Russo, G., Kajtazi, A., Vallaro, M., Surmont, P., Ermondi, G., Anderson, S., … Lynen, F. (2023). High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 235. https://doi.org/10.1016/j.jpba.2023.115604
Chicago author-date
Russo, Giacomo, Ardiana Kajtazi, Maura Vallaro, Pieter Surmont, Giuseppe Ermondi, Scott Anderson, Lucia Grumetto, Giulia Caron, and Frederic Lynen. 2023. “High-Throughput and Reliable Assessments of the Ionization Constant of Monoprotic Organic Acids through an Arginine Based Mixed Mode HPLC.” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 235. https://doi.org/10.1016/j.jpba.2023.115604.
Chicago author-date (all authors)
Russo, Giacomo, Ardiana Kajtazi, Maura Vallaro, Pieter Surmont, Giuseppe Ermondi, Scott Anderson, Lucia Grumetto, Giulia Caron, and Frederic Lynen. 2023. “High-Throughput and Reliable Assessments of the Ionization Constant of Monoprotic Organic Acids through an Arginine Based Mixed Mode HPLC.” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 235. doi:10.1016/j.jpba.2023.115604.
Vancouver
1.
Russo G, Kajtazi A, Vallaro M, Surmont P, Ermondi G, Anderson S, et al. High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. 2023;235.
IEEE
[1]
G. Russo et al., “High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC,” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 235, 2023.
@article{01HQJFDH8GWR6FYA1XC6V2FMP2,
  abstract     = {{The charge state of a molecule is the single most prominent attribute ruling out its interactions with the surrounding environment. In a previous study, the retention of acids on the new CelerisTM Arginine (ARG) column was found to be predominantly driven by electrostatics and, specifically, their charge state. Therefore, we analysed 41 compounds in liquid chromatography with ultraviolet detection to study possible relationships between the analytical retention on this phase and the pKa of the acidic solutes. Highly significant relationships were observed indicating either a linear (r2 = 0.86) or a quadratic (r2= 0.89) trend. To improve the throughput of the method, this was transferred to LC mass spectrometry, allowing the analysis of a molecule every 3 mins. The developed method was found to be fast, reliable, accurate, easily automatable and simple to set up. Finally, the analytical column's being industrially manufactured and commercially available offers broad applicability.}},
  articleno    = {{115604}},
  author       = {{Russo, Giacomo and Kajtazi, Ardiana and  Vallaro, Maura and Surmont, Pieter and  Ermondi, Giuseppe and  Anderson, Scott and  Grumetto, Lucia and  Caron, Giulia and Lynen, Frederic}},
  issn         = {{0731-7085}},
  journal      = {{JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS}},
  keywords     = {{PKa assessment,Dissociation constant,Arginine stationary phase,Acidity,High throughput analysis,DISSOCIATION-CONSTANT,PK(A),PH,ELECTROPHORESIS,HYDROPHOBICITY,LIPOPHILICITY,SPECTRA,WATER}},
  language     = {{eng}},
  pages        = {{7}},
  title        = {{High-throughput and reliable assessments of the ionization constant of monoprotic organic acids through an arginine based mixed mode HPLC}},
  url          = {{http://doi.org/10.1016/j.jpba.2023.115604}},
  volume       = {{235}},
  year         = {{2023}},
}
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