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An NMR supersequence is introduced for the rapid acquisition of ^(15)N-CEST and methyl-^(13)C-CEST experiments in the same pulse sequence for applications to proteins. The high sensitivity and accuracy allows the simultaneous quantitative characterization of backbone and side-chain dynamics on the millisecond timescale ideal for routine screening for alternative protein states.

An NMR supersequence is introduced for the rapid acquisition of ^(15)N-CEST and methyl-^(13)C-CEST experiments in the same pulse sequence for applications to proteins. The high sensitivity and accuracy allows the simultaneous quantitative characterization of backbone and side-chain dynamics on the millisecond timescale ideal for routine screening for alternative protein states.

Highly quantitative metabolomics studies of complex biological mixtures are facilitated by the resolution enhancement afforded by 2D NMR spectra such as 2D ^(13)C-¹H HSQC spectra. Here, we describe a new public web server, COLMARq, for the semi-automated analysis of sets of 2D HSQC spectra of cohorts of samples. The workflow of COLMARq includes automated peak picking using the deep neural network DEEP Picker, quantitative cross-peak volume extraction by numerical fitting using Voigt Fitter, the...

Highly quantitative metabolomics studies of complex biological mixtures are facilitated by the resolution enhancement afforded by 2D NMR spectra such as 2D ^(13)C-¹H HSQC spectra. Here, we describe a new public web server, COLMARq, for the semi-automated analysis of sets of 2D HSQC spectra of cohorts of samples. The workflow of COLMARq includes automated peak picking using the deep neural network DEEP Picker, quantitative cross-peak volume extraction by numerical fitting using Voigt Fitter, the...

Prof. Anyin Li, University of New Hampshire Date: April 19th, 2022 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96434729214?pwd=R0U1K3hyZ2M1a1ZYR296eVRLcTVlZz09 Meeting ID: 964 3472 9214 Password: 859213

Rapid progress in machine learning offers new opportunities for the automated analysis of multidimensional NMR spectra ranging from protein NMR to metabolomics applications. Most recently, it has been demonstrated how deep neural networks (DNN) designed for spectral peak picking are capable of deconvoluting highly crowded NMR spectra rivaling the facilities of human experts. Superior DNN-based peak picking is one of a series of critical steps during NMR spectral processing, analysis, and...

Rapid progress in machine learning offers new opportunities for the automated analysis of multidimensional NMR spectra ranging from protein NMR to metabolomics applications. Most recently, it has been demonstrated how deep neural networks (DNN) designed for spectral peak picking are capable of deconvoluting highly crowded NMR spectra rivaling the facilities of human experts. Superior DNN-based peak picking is one of a series of critical steps during NMR spectral processing, analysis, and...

1. Mr. Taghi Sahraeian, Badu Research Group “Air-Tight Ambient Mass Spectrometry for Direct Analysis of Solid-Electrolyte Interphase of Li-Ion Battery” 2. Second student volunteer speaker is needed Date: March 29th, 2022 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96434729214?pwd=R0U1K3hyZ2M1a1ZYR296eVRLcTVlZz09 Meeting ID: 964 3472 9214 Password: 859213

There is a critical need to accurately diagnose, prevent, and treat biofilms in humans. The biofilm forming P. aeruginosa bacteria can cause acute and chronic infections, which are difficult to treat due to their ability to evade host defenses along with an inherent antibiotic-tolerance. Using an untargeted NMR-based metabolomics approach, we identified statistically significant differences in 52 metabolites between P. aeruginosa grown in the planktonic and lawn biofilm states. Among them, the...

There is a critical need to accurately diagnose, prevent, and treat biofilms in humans. The biofilm forming P. aeruginosa bacteria can cause acute and chronic infections, which are difficult to treat due to their ability to evade host defenses along with an inherent antibiotic-tolerance. Using an untargeted NMR-based metabolomics approach, we identified statistically significant differences in 52 metabolites between P. aeruginosa grown in the planktonic and lawn biofilm states. Among them, the...

Dr. Damien Wilburn, Searle Research Group, Ohio State Comprehensive Cancer Center “Deep learning of proteome chemistry through harmonization of massive peptide libraries” Date: Feb 22nd, 2022 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96434729214?pwd=R0U1K3hyZ2M1a1ZYR296eVRLcTVlZz09 Meeting ID: 964 3472 9214 Password: 859213

Ms. Elaura Gustafson, Brigham Young University, Daniel Austin’s Research Group “Printed Circuit Board Charge Detection Mass Spectrometry” Date: Jan 25th, 2022 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96434729214?pwd=R0U1K3hyZ2M1a1ZYR296eVRLcTVlZz09 Meeting ID: 964 3472 9214 Password: 859213

Prof. Brian Searle, Biomedical Informatics, Ohio State Comprehensive Cancer Center Date: Dec 14th, 2021 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96220959486?pwd=Y2R2K2EwUTArTXZ4b1IrT21DVXJKQT09 Meeting ID: 962 2095 9486 Password: 748441 Slides: “Designing DIA Experiments for Phosphoproteomics“

Chen Du (Wysocki Group) and Philip Lindhorst (Hummon Group) Date: Nov 16th, 2021 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96220959486?pwd=Y2R2K2EwUTArTXZ4b1IrT21DVXJKQT09 Meeting ID: 962 2095 9486 Password: 748441

Title: “Exhalomics – on-line medical diagnosis via mass spectrometric analysis of exhaled breath” On-line breath analysis is a powerful approach to obtain insight into the metabolism of a person in real time. With ambient ionization methods, this can be achieved rapidly and completely non-invasively, opening up interesting possibilities to diagnose diseases via exhaled breath, to […]

Prof. Ekin Atilla-Gokcumen, University at Buffalo “LC-MS-based approaches for the discovery of novel lipid regulators of cell death” Date: Oct 12th, 2021 Time: 5:30 PM EST Zoom: https://osu.zoom.us/j/96220959486?pwd=Y2R2K2EwUTArTXZ4b1IrT21DVXJKQT09 Meeting ID: 962 2095 9486 Password: 748441

Dear All: Please consider registering for the upcoming MANA and OMSS symposia, to be held virtually in October 2021. You can find information about the program here. https://u.osu.edu/mana2021/

Mr. Taghi Sahraeian, Badu Research Group “Droplet Imbibition Mass Spectrometry” Date: Septh 14th, 2021 Time: 5:30 PM EST Zoom: link provided via email or contact badu-tawiah.1@osu.edu

The analysis of nuclear magnetic resonance (NMR) spectra for the comprehensive and unambiguous identification and characterization of peaks is a difficult, but critically important step in all NMR analyses of complex biological molecular systems. Here, we introduce DEEP Picker, a deep neural network (DNN)-based approach for peak picking and spectral deconvolution which semi-automates the analysis of two-dimensional NMR spectra. DEEP Picker includes 8 hidden convolutional layers and was trained...

The analysis of nuclear magnetic resonance (NMR) spectra for the comprehensive and unambiguous identification and characterization of peaks is a difficult, but critically important step in all NMR analyses of complex biological molecular systems. Here, we introduce DEEP Picker, a deep neural network (DNN)-based approach for peak picking and spectral deconvolution which semi-automates the analysis of two-dimensional NMR spectra. DEEP Picker includes 8 hidden convolutional layers and was trained...