Naslov
Software Implementation for Covariance NMR Spectroscopic Investigations

Autori
Schoefberger, Wolfgang ; Smrečki, Vilko ; Mueller Norbert

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
MATH/CHEM/COMP 2005, Book of Abstracts / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Institut Ruđer Bošković, 2005

Skup
The 20th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences

Mjesto i datum
Dubrovnik, Hrvatska, 20.06.2005. - 25.06.2005

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
-

Sažetak
Covariance nuclear magnetic resonance (NMR) spectroscopy (1, 2) provides an effective way for establishing nuclear spin connectivity in molecular systems. The method, which identifies correlated spin networks in terms of covariance between 1D traces, facilitates delineation of spin networks and allows a probable interpretation of correlation reliability. We have implemented software that integrates into the routine workplan. The application of covariance NMR spectroscopy applied to HMBC experiments of novel carbohydrate derivatives is presented. References: 1) R. Brüschweiler and F. Zhang, Covariance Nuclear Magnetic Resonance Spectroscopy, J. Chem. Phys., Vol. 120, No. 11, 2004, 5253-5260. 2) R. Brüschweiler, Theory of Covariance Nuclear Magnetic Resonance Spectroscopy, J. Chem. Phys., Vol. 121, No. 1, 2004, 409-414. Acknowledgements: This work was supported by the Austrian Science Fund, project P15380, the Austrian-Croatian joint research project 91102/03-06 (ÖAD-Project 13/04), and the Ministry of Science, Education and Sport of the Republic of Croatia project P0098059.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA