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Virtual Meeting – Feb 22nd @ 5:30pm

2 years 2 months ago
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
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Virtual Meeting – Jan 25th @ 5:30pm

2 years 3 months ago
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
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Virtual Meeting – Dec 14th @ 5:30pm

2 years 4 months ago
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“
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Virtual Analytical Seminar – October 25th @ 4:10pm

2 years 6 months ago
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 […]
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Virtual Meeting – Oct 12th @ 5:30pm

2 years 6 months ago
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
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DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra

2 years 7 months ago
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...
Da-Wei Li

DEEP picker is a deep neural network for accurate deconvolution of complex two-dimensional NMR spectra

2 years 7 months ago
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...
Da-Wei Li

Virtual Analytical Seminar – August 30th @ 4:10pm

2 years 7 months ago
Title: “Fishing out elusive species from chemical reactions” Prof. Shibdas Banerjee will be giving a talk at CBC’s analytical/physical seminar series. Shibdas is currently an Assistant Professor at Indian Institute of Science Education and Research Tirupati. He recently completed his postdoctoral studies with Prof. Dick Zare at Stanford University. Date: August 30th, 2021 Time: 4:10 […]
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Observation of Sub-Microsecond Protein Methyl-Side Chain Dynamics by Nanoparticle-Assisted NMR Spin Relaxation

2 years 8 months ago
Amino-acid side-chain properties in proteins are key determinants of protein function. NMR spin relaxation of side chains is an important source of information about local protein dynamics and flexibility. However, traditional solution NMR relaxation methods are most sensitive to sub-nanosecond dynamics lacking information on slower ns-μs time-scale motions. Nanoparticle-assisted NMR spin relaxation (NASR) of methyl-side chains is introduced here as a window into these ns-μs dynamics. NASR...
Xinyao Xiang

Observation of Sub-Microsecond Protein Methyl-Side Chain Dynamics by Nanoparticle-Assisted NMR Spin Relaxation

2 years 8 months ago
Amino-acid side-chain properties in proteins are key determinants of protein function. NMR spin relaxation of side chains is an important source of information about local protein dynamics and flexibility. However, traditional solution NMR relaxation methods are most sensitive to sub-nanosecond dynamics lacking information on slower ns-μs time-scale motions. Nanoparticle-assisted NMR spin relaxation (NASR) of methyl-side chains is introduced here as a window into these ns-μs dynamics. NASR...
Xinyao Xiang

Increasing sensitivity and versatility in NMR supersequences with new HSQC-based modules

2 years 9 months ago
The sensitivity-enhanced HSQC, as well as HSQC-TOCSY, experiments have been modified for incorporation into NOAH (NMR by Ordered Acquisition using ¹H detection) supersequences, adding diversity for ^(13)C and ^(15)N modules. Importantly, these heteronuclear modules have been specifically tailored to preserve the magnetisation required for subsequent acquisition of other heteronuclear or homonuclear modules in a supersequence. In addition, we present protocols for optimally combining HSQC and...
Jonathan R J Yong

Increasing sensitivity and versatility in NMR supersequences with new HSQC-based modules

2 years 9 months ago
The sensitivity-enhanced HSQC, as well as HSQC-TOCSY, experiments have been modified for incorporation into NOAH (NMR by Ordered Acquisition using ¹H detection) supersequences, adding diversity for ^(13)C and ^(15)N modules. Importantly, these heteronuclear modules have been specifically tailored to preserve the magnetisation required for subsequent acquisition of other heteronuclear or homonuclear modules in a supersequence. In addition, we present protocols for optimally combining HSQC and...
Jonathan R J Yong

From Selection to Instruction and Back: Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts

2 years 10 months ago
Two limiting cases of molecular recognition, induced fit (IF) and conformational selection (CS), play a central role in allosteric regulation of natural systems. The IF paradigm states that a substrate "instructs" the host to change its shape after complexation, while CS asserts that a guest "selects" the optimal fit from an ensemble of preexisting host conformations. With no studies that quantitatively address the interplay of two limiting pathways in abiotic systems, we herein and for the...
Radoslav Z Pavlović

From Selection to Instruction and Back: Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts

2 years 10 months ago
Two limiting cases of molecular recognition, induced fit (IF) and conformational selection (CS), play a central role in allosteric regulation of natural systems. The IF paradigm states that a substrate "instructs" the host to change its shape after complexation, while CS asserts that a guest "selects" the optimal fit from an ensemble of preexisting host conformations. With no studies that quantitatively address the interplay of two limiting pathways in abiotic systems, we herein and for the...
Radoslav Z Pavlović

2D NMR-Based Metabolomics with HSQC/TOCSY NOAH Supersequences

3 years ago
Sensitivity-improved versions of two-dimensional (2D) ^(13)C-¹H HSQC (heteronuclear single quantum coherence) and HSQC-TOCSY (HSQC-total correlation spectroscopy) NMR experiments optimized for small biological molecules and their complex mixtures encountered in metabolomics are presented that preserve the magnetization of ¹H spins not directly attached to ^(13)C spins. This allows (i) the application of rapid acquisition techniques to substantially shorten measurement time and (ii) their...
Alexandar L Hansen

2D NMR-Based Metabolomics with HSQC/TOCSY NOAH Supersequences

3 years ago
Sensitivity-improved versions of two-dimensional (2D) ^(13)C-¹H HSQC (heteronuclear single quantum coherence) and HSQC-TOCSY (HSQC-total correlation spectroscopy) NMR experiments optimized for small biological molecules and their complex mixtures encountered in metabolomics are presented that preserve the magnetization of ¹H spins not directly attached to ^(13)C spins. This allows (i) the application of rapid acquisition techniques to substantially shorten measurement time and (ii) their...
Alexandar L Hansen

Virtual Meeting – March 23rd @ 5:30pm

3 years 1 month ago
Prof. Justin Benesch, University of Oxford “Combining native mass spectrometry with mass photometry to elucidate the assembly of ultra-heterogeneous protein assemblies” Date: March 23rd, 2021 Time: 5:30 PM EST Zoom: link provided via email or contact badu-tawiah.1@osu.edu
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