Measurement of Proton Chemical Shifts in Invisible States of Slowly Exchanging Protein Systems by Chemical Exchange Saturation Transfer

2012 ◽  
Vol 116 (49) ◽  
pp. 14311-14317 ◽  
Author(s):  
Guillaume Bouvignies ◽  
Lewis E. Kay
Keyword(s):  
Chemical Exchange ◽  
Chemical Shifts ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Proton Chemical Shifts

scholarly journals Probing the excited-state chemical shifts and exchange parameters by nitrogen-decoupled amide proton chemical exchange saturation transfer (HNdec-CEST)

2017 ◽  
Vol 53 (61) ◽  
pp. 8541-8544 ◽  
Author(s):  
Qinglin Wu ◽  
Benjamin A. Fenton ◽  
Jessica L. Wojtaszek ◽  
Pei Zhou
Keyword(s):  
Excited State ◽  
Chemical Exchange ◽  
Chemical Shifts ◽  
Chemical Exchange Saturation Transfer ◽  
Amide Proton ◽  
Saturation Transfer ◽  
State Information ◽  
State Chemical ◽  
Exchange Parameters

The HNdec-CEST experiment enables robust extraction of excited-state information of macromolecules.

scholarly journals Towards autonomous analysis of Chemical Exchange Saturation Transfer experiments using Deep Neural Networks

2021 ◽  
Author(s):  
Gogulan Karunanithy ◽  
Tairan Yuwen ◽  
Lewis E Kay ◽  
D Flemming Hansen
Keyword(s):  
Neural Networks ◽  
Deep Neural Networks ◽  
Chemical Exchange ◽  
Chemical Shifts ◽  
Conformational Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Nmr Data ◽  
Exchange Processes ◽  
Fitting Procedures

Macromolecules often exchange between functional states on timescales that can be accessed with NMR spectroscopy and many NMR tools have been developed to characterise the kinetics and thermodynamics of the exchange processes, as well as the structure of the conformers that are involved. However, analysis of the NMR data that report on exchanging macromolecules often hinges on complex least-squares fitting procedures as well as human experience and intuition, which, in some cases, limits the widespread use of the methods. The applications of deep neural networks (DNNs) and artificial intelligence have increased significantly in the sciences, and recently, specifically, within the field of biomolecular NMR, where DNNs are now available for tasks such as the reconstruction of sparsely sampled spectra, peak picking, and virtual decoupling. Here we present a DNN for the analysis of chemical exchange saturation transfer (CEST) data reporting on two- or three-site chemical exchange involving sparse state lifetimes of between approximately 3 - 60 ms, the range most frequently observed via experiment. The work presented here focuses on the 1H CEST class of methods that are further complicated, in relation to applications to other nuclei, by anti-phase features. The developed DNNs accurately predict the chemical shifts of nuclei in the exchanging species directly from anti-phase 1HN CEST profiles, along with an uncertainty associated with the predictions. The performance of the DNN was quantitatively assessed using both synthetic and experimental anti-phase CEST profiles. The assessments show that the DNN accurately determines chemical shifts and their associated uncertainties. The DNNs developed here do not contain any parameters for the end-user to adjust and the method therefore allows for autonomous analysis of complex NMR data that report on conformational exchange.

Visualization of Spatial Distribution of Spermatogenesis in Mouse Testes Using Creatine Chemical Exchange Saturation Transfer Imaging

2021 ◽  
Author(s):  
Yusuke Takahashi ◽  
Hidetaka Kioka ◽  
Shinichiro Fukuhara ◽  
Sohei Kuribayashi ◽  
Shigeyoshi Saito ◽  
...  
Keyword(s):  
Spatial Distribution ◽  
Chemical Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer

scholarly journals In vitro and in vivo comparison of MRI chemical exchange saturation transfer (CEST) properties between native glucose and 3‐O‐Methyl‐D‐glucose in a murine tumor model

2021 ◽  
Author(s):  
Annasofia Anemone ◽  
Martina Capozza ◽  
Francesca Arena ◽  
Sara Zullino ◽  
Paola Bardini ◽  
...  
Keyword(s):  
Chemical Exchange ◽  
Tumor Model ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Murine Tumor ◽  
Murine Tumor Model

scholarly journals A generalized ratiometric chemical exchange saturation transfer (CEST) MRI approach for mapping renal pH using iopamidol

2017 ◽  
Vol 79 (3) ◽  
pp. 1553-1558 ◽  
Author(s):  
Yin Wu ◽  
Iris Y. Zhou ◽  
Takahiro Igarashi ◽  
Dario L. Longo ◽  
Silvio Aime ◽  
...  
Keyword(s):  
Chemical Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Cest Mri

scholarly journals Chemical Exchange Saturation Transfer (CEST) MR Technique for Liver Imaging at 3.0 Tesla: an Evaluation of Different Offset Number and an After-Meal and Over-Night-Fast Comparison

2015 ◽  
Vol 18 (2) ◽  
pp. 274-282 ◽  
Author(s):  
Min Deng ◽  
Shu-Zhong Chen ◽  
Jing Yuan ◽  
Queenie Chan ◽  
Jinyuan Zhou ◽  
...  
Keyword(s):  
Chemical Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Liver Imaging ◽  
Saturation Transfer ◽  
3.0 Tesla
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