2D Chromatography and 2D Spectroscopy in Analytical Chemistry: an Overview

Sudheeshna, M.; Malarvannan, M.; Kumar, K. Vinod; Kumar, G. Kranthi; Reddy, Y. Padmanabha

doi:10.1134/s1061934823090149

J Anal Chem

2023

DOI: 10.1134/s1061934823090149

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2D Chromatography and 2D Spectroscopy in Analytical Chemistry: an Overview

M. Sudheeshna,

M. Malarvannan,

K. Vinod Kumar

et al.

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2024

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Cited by 2 publications

References 125 publications

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Advances in analytical technologies for emerging drug modalities and their separation challenges in LC-MS systems

Malarvannan,

Ravichandiran,

Paul

2024

Journal of Chromatography A

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Advances in analytical technologies for emerging drug modalities and their separation challenges in LC-MS systems

Malarvannan,

Ravichandiran,

Paul

2024

Journal of Chromatography A

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Advanced Technology and Analytical Methods for Assessing the Impact of Anticancer Drug Metabolites on Drug Efficacy and Toxicity

Akhtar,

Mansoor,

Batool

et al. 2024

BBE

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This study focuses on advancing the analysis of anticancer drug metabolites by integrating cutting-edge analytical and computational techniques. To improve the separation and identification of metabolites, we employ advanced chromatographic methods, including Ultra-Performance Liquid Chromatography (UPLC) coupled with high-resolution mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. These techniques provide enhanced resolution and accuracy in metabolite profiling. Computational approaches, such as molecular dynamics (MD) simulations and quantum mechanical (QM) calculations, are utilized to predict metabolic pathways and identify novel metabolites, while quantitative structure-activity relationship (QSAR) models assess biological activity and potential toxicity. The study reveals that Metabolite A exhibits high binding affinity and favorable reaction energy, suggesting its significant role in drug efficacy, whereas Metabolite B, despite lower binding affinity, shows higher potency and may contribute substantially to therapeutic effects. In contrast, Metabolite C, with the lowest binding affinity and less favorable reaction energy, presents potential safety concerns. This integrated methodology highlights the importance of combining advanced analytical techniques with computational models to optimize drug development and personalized medicine. The findings underscore the potential for improved therapeutic efficacy and safety in oncology through detailed metabolite analysis.

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2D Chromatography and 2D Spectroscopy in Analytical Chemistry: an Overview

Cited by 2 publications

References 125 publications

Advances in analytical technologies for emerging drug modalities and their separation challenges in LC-MS systems

Advances in analytical technologies for emerging drug modalities and their separation challenges in LC-MS systems

Advanced Technology and Analytical Methods for Assessing the Impact of Anticancer Drug Metabolites on Drug Efficacy and Toxicity

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