Unanswered questions

In ModelFree calculations how to deal with spins not assigned to models and vice versa?

0 1 5k
answers votes views
What does it mean when modelfree does not assign any model to a particular spin? Also, what should one do if more than h...
Posted: Jeetender Chugh 31 / Updated: Evgeny Fadeev 5771 Apr 07 '10 at 09:13

Is there a way to measure scalar coupling when lines are broad?

1 1 5k
answers votes views
Hello, we have a peptide where amide peaks are broad and there is no hint of observable coupling with HA protons (no dis...
Posted: Evgeny Fadeev 5771 / Updated: jkurutz 131 Mar 16 '10 at 14:59

Software to model a 9-mer peptide that binds divalent metals and may oligomerize?

1 1 11562
answers votes views
I'm gearing up for a project in which we're looking at the structure of a short peptide that should fold upon binding di...
Posted: jkurutz 131 / Updated: Evgeny Fadeev 5771 Mar 18 '10 at 09:32

Are there ways to explain magnetic-field dependent chemical shift?

4 1 24022
answers votes views
Hi everyone, I was wondering whether anyone could help me to explain why the chemical shifts in my proton and carbon NM...
Posted: Guga Hollows 11 / Updated: Arkadiusz Leniak 238 May 31 '14 at 15:46

For the RDC analysis - how to tell when the sample is acceptable/useful?

4 1 16381
answers votes views
I have a rather simple question - What is the acceptable difference in coupling constants between the anisotropic and is...
Posted: shub 31 / Updated: Bharathwaj 112 Jun 22 '10 at 07:16

How to set up Gaussian pulse to satisfy desired bandwidth?

1 1 11554
answers votes views
Hello, posting this on behalf of my friend. The goal is to set up a gaussian shaped pulse so that bandwidth is X Hertz...
Updated: Evgeny Fadeev 5771 Apr 02 '10 at 13:15

How to determine the conformation of cis-cyclohexyl derivative by NMR?

1 1 4k
answers votes views
This cis-cyclohexyl derivative with two big substitutes (A and B) may has two conformational isomers, 1 and 2. How to ...
Posted: Jack 31 / Updated: Evgeny Fadeev 5771 Apr 05 '10 at 12:36

Why are my acetic acid-d4 solvent peaks off from the expected ppm value?

1 1 8k
answers votes views
Hello there. After running an 1H-NMR experiment I observed the acetic acid-d4 solvent peaks at 11.54 and 21.16 ppm (off...
Posted: BONA 11 / Updated: Evgeny Fadeev 5771 Apr 12 '10 at 15:08

Limit Testing by NMR?

3 1 9k
answers votes views
Is it possible to use NMR for limit testing of trace impurities in pharmaceutical drug substances? What are the conside...
Posted: Chris Kirchner 11 / Updated: sekhar Talluri 621 May 23 '10 at 11:49

How to determine E vz Z olefin isomer when proton resonances orverlap?

3 1 16680
answers votes views
We have an olefin, R1-CH=CH-R2 where proton resonances overlap. Is there a way to determine olefin isomer - E (trans) vs...
Posted: Evgeny Fadeev 5771 / Updated: Cleber Barreto 73 Jul 10 '10 at 08:07
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