Four-pool modeling of proton exchange processes in biological systems in the presence of MRI-paramagnetic chemical exchange saturation transfer (PARACEST) agents

2008 ◽  
Vol 60 (5) ◽  
pp. 1197-1206 ◽  
Author(s):  
Alex X. Li ◽  
Robert H.E. Hudson ◽  
John W. Barrett ◽  
Craig K. Jones ◽  
Stephen H. Pasternak ◽  
...  
Keyword(s):  
Chemical Exchange ◽  
Biological Systems ◽  
Proton Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Exchange Processes

scholarly journals Quantifying amide proton exchange rate and concentration in chemical exchange saturation transfer imaging of the human brain

NeuroImage ◽  
2019 ◽  
Vol 189 ◽  
pp. 202-213 ◽  
Author(s):  
Hye-Young Heo ◽  
Zheng Han ◽  
Shanshan Jiang ◽  
Michael Schär ◽  
Peter C.M. van Zijl ◽  
...  
Keyword(s):  
Exchange Rate ◽  
Human Brain ◽  
Chemical Exchange ◽  
Proton Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Amide Proton ◽  
Saturation Transfer ◽  
Amide Proton Exchange

Proton exchange in aqueous urea solutions measured by water‐exchange (WEX) NMR spectroscopy and chemical exchange saturation transfer (CEST) imaging in vitro

2019 ◽  
Author(s):  
Julia Stabinska ◽  
Philipp Neudecker ◽  
Alexandra Ljimani ◽  
Hans‐Jörg Wittsack ◽  
Rotem Shlomo Lanzman ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Water Exchange ◽  
Chemical Exchange ◽  
Proton Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer ◽  
Cest Imaging ◽  
Aqueous Urea

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.

scholarly journals Proton Exchange in a Paramagnetic Chemical Exchange Saturation Transfer Agent from Experimental Studies andab InitioMetadynamics Simulation

2017 ◽  
Vol 56 (8) ◽  
pp. 4317-4323 ◽  
Author(s):  
Rodolphe Pollet ◽  
Célia S. Bonnet ◽  
Pascal Retailleau ◽  
Philippe Durand ◽  
Éva Tóth
Keyword(s):  
Chemical Exchange ◽  
Experimental Studies ◽  
Proton Exchange ◽  
Chemical Exchange Saturation Transfer ◽  
Saturation Transfer

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
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