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Literature DB >> 34617650

Density Functional Theory Study of Reaction Equilibria in Signal Amplification by Reversible Exchange.

Kailai Lin¹, Patrick TomHon², Sören Lehmkuhl², Raul Laasner³, Thomas Theis^2,4,5, Volker Blum^1,3.

Abstract

The front cover artwork is provided by the groups of Prof. Thomas Theis (North Carolina State University) Prof. Volker Blum (Duke University). The image shows the reaction network of Signal Amplification by Reversible Exchange (SABRE), elucidated by density functional theory (DFT). Read the full text of the Review at 10.1002/cphc.202100204.

Entities: Chemical

Year: 2021 PMID： 34617650 PMCID： PMC8725239 DOI： 10.1002/cphc.202100678

Source DB: PubMed Journal: Chemphyschem ISSN： 1439-4235 Impact factor: 3.102

46 in total

1. A simple analytical model for signal amplification by reversible exchange (SABRE) process.

Authors: Danila A Barskiy; Andrey N Pravdivtsev; Konstantin L Ivanov; Kirill V Kovtunov; Igor V Koptyug
Journal: Phys Chem Chem Phys Date: 2015-12-08 Impact factor: 3.676

Review 2. MRI using hyperpolarized noble gases.

Authors: H Kauczor; R Surkau; T Roberts
Journal: Eur Radiol Date: 1998 Impact factor: 5.315

3. Reproducibility in density functional theory calculations of solids.

Authors: Kurt Lejaeghere; Gustav Bihlmayer; Torbjörn Björkman; Peter Blaha; Stefan Blügel; Volker Blum; Damien Caliste; Ivano E Castelli; Stewart J Clark; Andrea Dal Corso; Stefano de Gironcoli; Thierry Deutsch; John Kay Dewhurst; Igor Di Marco; Claudia Draxl; Marcin Dułak; Olle Eriksson; José A Flores-Livas; Kevin F Garrity; Luigi Genovese; Paolo Giannozzi; Matteo Giantomassi; Stefan Goedecker; Xavier Gonze; Oscar Grånäs; E K U Gross; Andris Gulans; François Gygi; D R Hamann; Phil J Hasnip; N A W Holzwarth; Diana Iuşan; Dominik B Jochym; François Jollet; Daniel Jones; Georg Kresse; Klaus Koepernik; Emine Küçükbenli; Yaroslav O Kvashnin; Inka L M Locht; Sven Lubeck; Martijn Marsman; Nicola Marzari; Ulrike Nitzsche; Lars Nordström; Taisuke Ozaki; Lorenzo Paulatto; Chris J Pickard; Ward Poelmans; Matt I J Probert; Keith Refson; Manuel Richter; Gian-Marco Rignanese; Santanu Saha; Matthias Scheffler; Martin Schlipf; Karlheinz Schwarz; Sangeeta Sharma; Francesca Tavazza; Patrik Thunström; Alexandre Tkatchenko; Marc Torrent; David Vanderbilt; Michiel J van Setten; Veronique Van Speybroeck; John M Wills; Jonathan R Yates; Guo-Xu Zhang; Stefaan Cottenier
Journal: Science Date: 2016-03-25 Impact factor: 47.728

4. para-Hydrogen-induced polarization in heterogeneous hydrogenation reactions.

Authors: Igor V Koptyug; Kirill V Kovtunov; Scott R Burt; M Sabieh Anwar; Christian Hilty; Song-I Han; Alexander Pines; Renad Z Sagdeev
Journal: J Am Chem Soc Date: 2007-04-05 Impact factor: 15.419

5. Reversible interactions with para-hydrogen enhance NMR sensitivity by polarization transfer.

Authors: Ralph W Adams; Juan A Aguilar; Kevin D Atkinson; Michael J Cowley; Paul I P Elliott; Simon B Duckett; Gary G R Green; Iman G Khazal; Joaquín López-Serrano; David C Williamson
Journal: Science Date: 2009-03-27 Impact factor: 47.728

Review 6. Parahydrogen-Based Hyperpolarization for Biomedicine.

Authors: Jan-Bernd Hövener; Andrey N Pravdivtsev; Bryce Kidd; C Russell Bowers; Stefan Glöggler; Kirill V Kovtunov; Markus Plaumann; Rachel Katz-Brull; Kai Buckenmaier; Alexej Jerschow; Francesca Reineri; Thomas Theis; Roman V Shchepin; Shawn Wagner; Pratip Bhattacharya; Niki M Zacharias; Eduard Y Chekmenev
Journal: Angew Chem Int Ed Engl Date: 2018-08-01 Impact factor: 15.336

7. Irreversible catalyst activation enables hyperpolarization and water solubility for NMR signal amplification by reversible exchange.

Authors: Milton L Truong; Fan Shi; Ping He; Bingxin Yuan; Kyle N Plunkett; Aaron M Coffey; Roman V Shchepin; Danila A Barskiy; Kirill V Kovtunov; Igor V Koptyug; Kevin W Waddell; Boyd M Goodson; Eduard Y Chekmenev
Journal: J Phys Chem B Date: 2014-11-19 Impact factor: 2.991