RIPPLY: Real-TIme Parallel Progress AnaLYsis of Organic Reactions Using Near-Infrared Spectroscopy DOI
Robbert van Putten,

Koen De Smet,

Laurent Lefort

et al.

Organic Process Research & Development, Journal Year: 2023, Volume and Issue: 27(11), P. 2082 - 2090

Published: Oct. 24, 2023

High-throughput experimentation (HTE) is an important tool in pharmaceutical process research and development. However, most of the current HTE workflows do not monitor reaction progress and, therefore, provide no information on kinetic regimes (induction, deactivation, etc.). Here, we describe development a parallel monitoring technique for micromole-scale organic reactions using near-infrared spectroscopy multivariate semi-NMF analysis (Non-negative Matrix Factorization). This workflow produces qualitative profiles or semiquantitative concentration without need time-consuming calibration. Advantageously, simultaneous improved confidence black box allowed direct comparison predicted measured final compositions. Two test were successfully monitored our new approach. Coincidentally, study led to identification ketone transfer hydrogenation catalyst. Finally, initial rate kinetics VTNA (Variable Time Normalization Analysis) experiments performed technique.

Language: Английский

Acoustic ejection mass spectrometry: Development, applications, and future perspective DOI
Wilson Z. Shou

Biomedical Chromatography, Journal Year: 2021, Volume and Issue: 36(2)

Published: Nov. 6, 2021

Language: Английский

Citations

10
Automated desorption electrospray ionization two-dimensional tandem mass spectrometry: Instrumentation and software for high throughput analysis DOI Creative Commons
Eric T. Dziekonski, Thomas C. Sams, Lucas J. Szalwinski

et al.

International Journal of Mass Spectrometry, Journal Year: 2023, Volume and Issue: 486, P. 117023 - 117023

Published: Feb. 10, 2023

Language: Английский

Citations

3
Using Hadamard Transform Multiplexed IR Spectroscopy Together with a Segmented Ion Trap for the Identification of Mobility-Selected Isomers DOI Creative Commons
Vasyl Yatsyna, Ali H. Abikhodr, Ahmed Ben Faleh

et al.

Analytical Chemistry, Journal Year: 2023, Volume and Issue: 95(25), P. 9623 - 9629

Published: June 12, 2023

The high isomeric complexity of glycans makes them particularly difficult to analyze. While ultra-high-resolution ion mobility spectrometry (IMS) can offer rapid baseline separation many glycan isomers, their unambiguous identification remains a challenging task. One approach solving this problem is identify mobility-separated isomers by measuring highly resolved cryogenic vibrational spectra. To be able apply complex mixtures at throughput, we have recently developed Hadamard transform multiplexed spectroscopic technique that allows spectra all species separated in both IMS and mass dimensions single laser scan. In the current work, further develop multiplexing using traps incorporated directly into device based on structures for lossless manipulations (SLIM). We also show spectroscopy perfect sequence matrices outperform standard Simplex matrices. Lastly, increase measurement speed throughput running multiple schemes several SLIM combination with simultaneous measurements segmented trap.

Language: Английский

Citations

3
Enhanced Sample Throughput Capillary Zone Electrophoresis with UV Detection in Hydrodynamically Closed System for Determination of Ibuprofen DOI Creative Commons
Ondrej Štefánik,

Andrea Horniaková,

Ivana Čižmárová

et al.

Separations, Journal Year: 2022, Volume and Issue: 9(5), P. 118 - 118

Published: May 11, 2022

A simple analytical approach based on capillary zone electrophoresis with ultraviolet detection and repeated sample injection strategy (applied in a hydrodynamically closed separation system for the first time) was developed determination of ibuprofen (IBU) commercially available pharmaceutical preparations. The proposed method characterized by significantly increased throughput favorable validation parameters, highly demanded routine quality control laboratories. limit predicted at concentration level 0.31 µg/mL. Intra-day precision expressed as relative standard deviation IBU ranged from 1.9 to 5.6%, corresponding intra-day accuracy error interval 87.1–106.5%. Inter-day range 2.6–15.0%, inter-day 94.9–102.7%. able quantify complex matrices represented tablets oral suspension. determined contents tested dosage forms were good agreement manufacturer’s declaration. performance evaluated according innovative RGB Additive Color Model strategy. It demonstrated that is very safety eco-friendliness, practical effectiveness.

Language: Английский

Citations

5
RIPPLY: Real-TIme Parallel Progress AnaLYsis of Organic Reactions Using Near-Infrared Spectroscopy DOI
Robbert van Putten,

Koen De Smet,

Laurent Lefort

et al.

Organic Process Research & Development, Journal Year: 2023, Volume and Issue: 27(11), P. 2082 - 2090

Published: Oct. 24, 2023

High-throughput experimentation (HTE) is an important tool in pharmaceutical process research and development. However, most of the current HTE workflows do not monitor reaction progress and, therefore, provide no information on kinetic regimes (induction, deactivation, etc.). Here, we describe development a parallel monitoring technique for micromole-scale organic reactions using near-infrared spectroscopy multivariate semi-NMF analysis (Non-negative Matrix Factorization). This workflow produces qualitative profiles or semiquantitative concentration without need time-consuming calibration. Advantageously, simultaneous improved confidence black box allowed direct comparison predicted measured final compositions. Two test were successfully monitored our new approach. Coincidentally, study led to identification ketone transfer hydrogenation catalyst. Finally, initial rate kinetics VTNA (Variable Time Normalization Analysis) experiments performed technique.

Language: Английский

Citations

2