Faster, More Sensitive 2D NMR and Indirect Covariance

Interesting article from C&E News, about faster and more sensitive 2D NMR.

"The merging of techniques (ultrafast multidimensional NMR and ex situ hyperpolarized dynamic nuclear polarization), makes it possible "to collect 2-D NMR data within a fraction of a second, instead of the minutes to hours normally required for conventional 2-D NMR acquisitions," Frydman says. And it makes it possible to analyze samples with submicromolar concentrations, whereas millimolar concentration limits are more typical of conventional NMR, he says."

Interesting stuff indeed, unfortunately I don't know that you'll go ahead and make use of this application today. Further, what does this story have to do with software (the purpose of my blog?).

Well, nothing for now.

But if you have ever found yourself in the dilemma where you would like to run hyphenated 2D NMR data but can't afford the spectrometer time it will eat up, or if your product has long since decomposed,  I might have some interesting stuff for you.

At ENC 2007, Gary Martin from Schering-Plough spoke in the liquids session, as well as at our annual seminar. He spoke about Unsymmetrical Indirect Covariance. His talk was extremely well received at the conference (The most common question in our suite all week was, "Do you have more information on that stuff Gary Martin was talking about?"). His abstract and presentation can be downloaded here:

http://www.acdlabs.com/publish/publ07/enc2007_indirect_covariance_nmr.html

Following Gary's talk, my colleague, Arvin Moser gave a talk on how to perform indirect covariance in ACD/2D NMR Processor. His abstract and presentation is here:

http://www.acdlabs.com/publish/publ07/enc2007_covariance.html

For step-by-step instructions, Arvin has also written two technical notes:

One on how to perform indirect covariance in ACD/2D NMR Processor:

http://www.acdlabs.com/download/technotes/90/nmr/indirectcovariance_amfinal.pdf

and one on how to perform unsymmetrical indirect covariance in ACD/2D NMR Processor:

http://www.acdlabs.com/download/technotes/90/nmr/unsumm_covariance.pdf

Oh yeah...and a laundry list of publications we have collaborated with others on:

Utilizing Unsymmetrical Indirect Covariance Processing to Define ¹³C-¹⁵N Connectivity Networks
Kirill A. Blinov,  Antony J. Williams, P.A. Irish (Schering-Plough), Bruce D. Hilton (Schering-Plough), and Gary E. Martin (Schering-Plough)
Magn. Reson. Chem. IN PRESS

Unsymmetrical Covariance Processing of COSY or TOCSY and HSQC NMR Data to Obtain the Equivalent of HSQC-COSY and HSQC-TOCSY Spectra
Kirill A. Blinov,  Nicolay I. Larin, Antony J. Williams, K.A. Mills, and Gary E. Martin (Pfizer)
Magn. Reson. Chem. IN PRESS

The Use of Unsymmetrical Indirect Covariance NMR Methods to Obtain the Equivalent of HSQC-NOESY Data
Kirill A. Blinov, Antony J. Williams, P.A. Irish (Schering-Plough), Bruce D. Hilton (Schering-Plough), and Gary E. Martin (Schering-Plough)
Magn. Reson. Chem. EARLY VIEW

Long-Range Carbon-Carbon Connectivity via Unsymmetrical Indirect Covariance Processing of HSQC and HMBC NMR Data
Kirill A. Blinov,  Nicolay I. Larin, Antony J. Williams, Mark Zell (Pfizer), and Gary E. Martin (Pfizer)
Magn. Reson. Chem., 44, (2) 107-109, February 2006.

(The one above is actually the most accessed article on MRC's website!)

Analysis and Elimination of Artifacts in Indirect Covariance NMR Spectra Via Unsymmetrical Processing
Kirill A. Blinov,  Nicolay I. Larin, Mikhail P. Kvasha, Arvin Moser, Antony J. Williams, and Gary E. Martin (Pfizer)
Magn. Reson. Chem., 43, (12) 999-1007, September 2005.

and several more in the works.

That should keep you busy for awhile...

 

Comments

[Daniela Cranchi]

I'm a student of the Federal University of Rio de Janeiro (UFRJ), in the area of natural products. I'm going to present a seminar about biflavonoids and I need spectra of amentoflavone NMR (uni and bidimensional) to complete my presentation. I've been looking for ultraviolet and infrared spectra. It will enrich the seminar if I can compare them with spectra derived from amentoflavone and other dimers of apigenin. I've found some thesis with them, but the copy of the pictures aren't visible because of the bad resolution.

My email is dcranchi@hotmail.com

I'm thankful for your attention, and I'm looking forward your answer...

Daniela Cranchi

[Gary Martin]

Ryan, it has been a while since you updated the publication list on indirect covariance methods, so I thought it appropriate to do that with a post:

F. Zhang and R. Bruschweiler, J. Am. Chem. Soc., 126, 13180 (2004).

K. A. Blinov, N. I. Larin, M. P. Kvasha, A. Moser, A. J. Williams, and G. E. Martin, Magn. Reson. Chem., 43, 999 (2005).

K. A. Blinov, N. I. Larin, A. J. Williams, M. Zell, and G. E. Martin, Magn. Reson. Chem., 44, 107 (2006).

K. A. Blinov, N. I. Larin, A. J. Williams, K. A. Mills, and G. E. Martin, J. Heterocyclic Chem., 43, 163 (2006).

K. A. Blinov, A. J. Williams, B. D. Hilton, P. A. Irish, and G. E. Martin, Magn. Reson. Chem., 45 544 (2007).

W. Schoefberger, V. Smrečki, D. Vikić-Topić, and N. Müller, Magn. Reson. Chem., 45, 583 (2007).

G.E. Martin, P. A. Irish, B. D. Hilton, K. A. Blinov, and A. J. Williams, Magn. Reson. Chem., 45, 624 (2007).

G.E. Martin, B.D. Hilton, P.A. Irish, K.A. Blinov, and A.J. Williams, J. Heterocyclic Chem., 44, 1219 (2007).

G.E. Martin, B.D. Hilton, P.A. Irish, K.A. Blinov, and A.J. Williams, J. Nat. Prod., 70, 1393 (2007).

G.E. Martin, P. A. Irish, B. D. Hilton, K. A. Blinov, and A. J. Williams, Magn. Reson. Chem., 45, 883 (2007).

B. Hu, J.-P. Amourex, and J. Trebose, Solid State Nuclear Magnetic Resonance, 31, 163 (2007).

G.E. Martin, B.D. Hilton, P.A. Irish, K.A. Blinov, and A.J. Williams, J. Nat. Prod., 70, 1966 (2007).

D. A. Snyder, Y. Xu, D. Yang, and R. Bruschweiler, J. Am. Chem. Soc., 129, 14126 (2007).

G.E. Martin, B. D. Hilton, K. A. Blinov, and A. J. Williams, Magn. Reson. Chem., 46, 138 (2008).

G.E. Martin, B.D. Hilton, K. A. Blinov, and A. J. Williams, J. Heterocyclic Chem., 45, in press (2008).

This is the list I currently have. Note that this list does not contain additional papers that pertain to homonuclear covariance processing methods. I don't have that list of publications hand that I can cut and past into this post.

[שיווק באינטרנט]

Really interesting stuff, fortunately I know what to go ahead and use this application today.

[http://www.karney.co.il]

It will enrich the seminar if I can compare them with spectra obtained from dimers and other amentoflavone apigenin.