scholarly journals Ultra-High-Throughput Acoustic Droplet Ejection-Open Port Interface-Mass Spectrometry for Parallel Medicinal Chemistry

2020 ◽  
Vol 11 (6) ◽  
pp. 1101-1110 ◽  
Author(s):  
Kenneth J. DiRico ◽  
Wenyi Hua ◽  
Chang Liu ◽  
Joseph W. Tucker ◽  
Anokha S. Ratnayake ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Throughput ◽  
Medicinal Chemistry ◽  
Droplet Ejection ◽  
Open Port

scholarly journals Ultrahigh-Throughput ESI-MS: Sampling Pushed to Six Samples per Second by Acoustic Ejection Mass Spectrometry

2020 ◽  
Author(s):  
Tim Häbe ◽  
Chang Liu ◽  
Tom Covey ◽  
Roman P. Simon ◽  
Wolfgang Reindl ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Enzyme Assay ◽  
Sampling Rate ◽  
Internal Standard ◽  
Stress Tests ◽  
Esi Ms ◽  
Droplet Ejection ◽  
Signal Suppression ◽  
Dog Plasma ◽  
Open Port

<div> <p> We present an acoustic ejection mass spectrometry (AEMS) setup for ESI-MS based sample </p><p> injection at a sampling rate faster than current ESI and MALDI techniques. A modified acoustic </p><p> droplet ejection system was combined with an open port interface and a modified ESI source. To </p><p> simulate applications of drug metabolism and pharmacokinetics analysis and high-throughput </p><p> screening campaigns, two stress tests were performed regarding ion suppression and system </p><p> endurance in combination with minor sample preparation. Maximum sampling rate was 6 Hz for </p><p> dextromethorphan and d3-dextrorphan (each 100 nM) for 1152 injections in 63 s at FWHM of </p><p> 105 ms and %RSD of 7.7%/7.5% without internal standard correction. Enzyme assay buffer and </p><p> crude dog plasma caused signal suppression of 51%/73% at %RSD of 5.7%/6.7% (n = 120) and </p><p> stable OPI performance during 1100 injections. An endurance buffer revealed minor OPI pollution </p><p> and constant signals for >25.000 injections (%RSD = 8.5%, n = 10,557). </p></div>

scholarly journals Ultrahigh-Throughput ESI-MS: Sampling Pushed to Six Samples per Second by Acoustic Ejection Mass Spectrometry

2020 ◽  
Author(s):  
Tim Häbe ◽  
Chang Liu ◽  
Tom Covey ◽  
Roman P. Simon ◽  
Wolfgang Reindl ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Enzyme Assay ◽  
Sampling Rate ◽  
Internal Standard ◽  
Stress Tests ◽  
Esi Ms ◽  
Droplet Ejection ◽  
Signal Suppression ◽  
Dog Plasma ◽  
Open Port

<div> <p> We present an acoustic ejection mass spectrometry (AEMS) setup for ESI-MS based sample </p><p> injection at a sampling rate faster than current ESI and MALDI techniques. A modified acoustic </p><p> droplet ejection system was combined with an open port interface and a modified ESI source. To </p><p> simulate applications of drug metabolism and pharmacokinetics analysis and high-throughput </p><p> screening campaigns, two stress tests were performed regarding ion suppression and system </p><p> endurance in combination with minor sample preparation. Maximum sampling rate was 6 Hz for </p><p> dextromethorphan and d3-dextrorphan (each 100 nM) for 1152 injections in 63 s at FWHM of </p><p> 105 ms and %RSD of 7.7%/7.5% without internal standard correction. Enzyme assay buffer and </p><p> crude dog plasma caused signal suppression of 51%/73% at %RSD of 5.7%/6.7% (n = 120) and </p><p> stable OPI performance during 1100 injections. An endurance buffer revealed minor OPI pollution </p><p> and constant signals for >25.000 injections (%RSD = 8.5%, n = 10,557). </p></div>

154: Integration of TPSA and High-Throughput Mass Spectrometry Data Improves Prostate Cancer Prediction

2007 ◽  
Vol 177 (4S) ◽  
pp. 52-53
Author(s):  
Stefano Ongarello ◽  
Eberhard Steiner ◽  
Regina Achleitner ◽  
Isabel Feuerstein ◽  
Birgit Stenzel ◽  
...  
Keyword(s):  
Prostate Cancer ◽  
Mass Spectrometry ◽  
High Throughput ◽  
Mass Spectrometry Data ◽  
Cancer Prediction

High-Throughput Affinity Selection Mass Spectrometry Using SAMDI-MS to Identify Small-Molecule Binders of the Human Rhinovirus 3C Protease

2021 ◽  
pp. 247255522110232
Author(s):  
Michael D. Scholle ◽  
Doug McLaughlin ◽  
Zachary A. Gurard-Levin
Keyword(s):  
Mass Spectrometry ◽  
Drug Discovery ◽  
High Throughput ◽  
High Throughput Screening ◽  
Human Rhinovirus ◽  
Binding Potential ◽  
Affinity Selection ◽  
Response Curves ◽  
Desorption Ionization ◽  
Self Assembled

Affinity selection mass spectrometry (ASMS) has emerged as a powerful high-throughput screening tool used in drug discovery to identify novel ligands against therapeutic targets. This report describes the first high-throughput screen using a novel self-assembled monolayer desorption ionization (SAMDI)–ASMS methodology to reveal ligands for the human rhinovirus 3C (HRV3C) protease. The approach combines self-assembled monolayers of alkanethiolates on gold with matrix-assisted laser desorption ionization time-of-flight (MALDI TOF) mass spectrometry (MS), a technique termed SAMDI-ASMS. The primary screen of more than 100,000 compounds in pools of 8 compounds per well was completed in less than 8 h, and informs on the binding potential and selectivity of each compound. Initial hits were confirmed in follow-up SAMDI-ASMS experiments in single-concentration and dose–response curves. The ligands identified by SAMDI-ASMS were further validated using differential scanning fluorimetry (DSF) and in functional protease assays against HRV3C and the related SARS-CoV-2 3CLpro enzyme. SAMDI-ASMS offers key benefits for drug discovery over traditional ASMS approaches, including the high-throughput workflow and readout, minimizing compound misbehavior by using smaller compound pools, and up to a 50-fold reduction in reagent consumption. The flexibility of this novel technology opens avenues for high-throughput ASMS assays of any target, thereby accelerating drug discovery for diverse diseases.

scholarly journals Evaluation of ambient mass spectrometry tools for assessing inherent postharvest pepper quality

2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Tyler J. Mason ◽  
Harmonie M. Bettenhausen ◽  
Jacqueline M. Chaparro ◽  
Mark E. Uchanski ◽  
Jessica E. Prenni
Keyword(s):  
Mass Spectrometry ◽  
High Throughput ◽  
High Throughput Screening ◽  
Direct Analysis ◽  
Quality Characteristics ◽  
Ambient Mass Spectrometry ◽  
Postharvest Quality ◽  
Ionization Mass ◽  
Ambient Conditions ◽  
Assess Quality

AbstractHorticulturists are interested in evaluating how cultivar, environment, or production system inputs can affect postharvest quality. Ambient mass spectrometry approaches enable analysis of minimally processed samples under ambient conditions and offer an attractive high-throughput alternative for assessing quality characteristics in plant products. Here, we evaluate direct analysis in real time (DART-MS) mass spectrometry and rapid evaporative ionization-mass spectrometry (REIMS) to assess quality characteristics in various pepper (Capsicum annuum L.) cultivars. DART-MS exhibited the ability to discriminate between pod colors and pungency based on chemical fingerprints, while REIMS could distinguish pepper market class (e.g., bell, lunchbox, and popper). Furthermore, DART-MS analysis resulted in the putative detection of important bioactive compounds in human diet such as vitamin C, p-coumaric acid, and capsaicin. The results of this study demonstrate the potential for these approaches as accessible and reliable tools for high throughput screening of pepper quality.

High-throughput determination of flavanone-O-glycosides in citrus beverages by paper spray tandem mass spectrometry

2021 ◽  
pp. 130060
Author(s):  
Fabio Mazzotti ◽  
Lucia Bartella ◽  
Ines Rosita Talarico ◽  
Anna Napoli ◽  
Leonardo Di Donna
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
High Throughput ◽  
Tandem Mass ◽  
Paper Spray
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