Related ArticlesTransmembrane 19F NMR chemical shift difference of fluorinated solutes in liposomes, erythrocytes and erythrocyte ghosts.
NMR Biomed. 1993 Mar-Apr;6(2):136-43
Authors: Xu AS, Waldeck AR, Kuchel PW
In erythrocytes suspended in isotonic medium, a number of fluorinated anions showed well resolved 19F NMR resonances from the solute populations in the intra- and extracellular compartments; the intracellular resonances were shifted to higher frequency (low field). In addition 19F NMR resonances of extracellular solutes were shifted to higher frequency when bovine serum albumin was incorporated into the extracellular medium. The dependence of 19F NMR chemical shift on protein concentration was also demonstrated using resealed red cell ghosts and liposomes; in the presence of external hemoglobin, lysozyme and bovine serum albumin, the shift of the external resonances was to higher frequency. In addition, significant high frequency shifts of 19F NMR resonances were evident along with an increase of temperature. The results of the present study further support the contention that the principal physical basis for the shifts is the disruption of direct hydrogen bonds between 19F of the solutes and (primarily) solvent H2O by protein hydration. The 'split peak' phenomenon is of general importance in biological systems where a transmembrane protein-concentration difference exists.
SHIFTX2: Chemical Shift Prediction
SHIFTX2 website
SHIFTX2 is capable of rapidly and accurately calculating diamagnetic 1H, 13C and 15N chemical shifts from protein coordinate data. Compared to its predecessor (SHIFTX) and to other existing protein chemical shift prediction programs, SHIFTX2 is substantially more accurate (up to 26% better by correlation coefficient with an RMS error that is up to 3.3× smaller) than the next best performing program. It also provides significantly more coverage (up to 10% more), is significantly faster (up to 8.5×) and capable of calculating a wider variety of backbone and side chain...
gwnmr
NMR software
0
01-10-2012 06:13 PM
[NMR paper] NMR difference spectroscopy with a dual saddle-coil difference probe.
NMR difference spectroscopy with a dual saddle-coil difference probe.
Related Articles NMR difference spectroscopy with a dual saddle-coil difference probe.
Anal Bioanal Chem. 2004 Mar;378(6):1520-7
Authors: Macnaughtan MA, Smith AP, Goldsbrough PB, Santini RE, Raftery D
A new difference probe for nuclear magnetic resonance (NMR) spectroscopy is presented. The difference probe uses two saddle-shaped coils to excite and detect two samples simultaneously. The samples are held in a specially modified 3-mm NMR tube with an Ultem plastic disk to...
NMR question about chemical shifts and frequency difference between two lines?
The 13C chemical shifts for the carbonyl and methyl resonances of acetone are 206.68 and29.92 ppm, respectively (referenced to TMS at 0 ppm).a) If this spectrum was run on a Varian INOVA 400 NMR spectrometer, what is the frequencydifference in Hz between the two lines? (Assume <ref = 100.0650368 MHz) (2 points)b) What is the difference in magnetic field experienced by the carbonyl carbon vs. the methylcarbons. (4 points)thank you Allision!!so then i haver a difference of 17,717 Hz.for b) now I do not have any textbooks for this course but i did go to the library and picked up 4 differnet...
Chemical shift of protons?
Can someone give me the answers to the chemical shift of the protons in this compound: CH3CH2OCH2CH(CH3)COOH? Of if you can explain how to get the chemical shift it would be quite helpful as the info online does not really help me.
Tim Mrudande
NMR Questions and Answers
1
01-16-2005 08:23 AM
HNMR chemical shift characteristic?
Hi, I'm trying to justify why that specific proton has such chemical shift characteristic.The molecule I'm working with is cyclopentadiene. I know that two protons attached on one of five carbon has 2.89ppm and the proton attached to the next carbon has 6.46ppm and the one on next carbon has 6.57ppm. I can't seem to justify the reason for that pattern.Another molecule is anisole. The methiyl group attached to the ester oxygen has 3.79ppm and the proton attached to carbon that is at ortho position with oxygen has 6.88ppm and the next proton(meta position) is 7.29ppm and the next one (para...
Filumena M
NMR Questions and Answers
1
01-09-2005 01:40 AM
what is/ how do you calculate the chemical shift in an NMR?
I have read the technical definitions but I still do not understand what the chemical shift means and how you calculate it given an NMR peak. If someone could kind of dumb it down for me but still give me the important things to know/ how it helps you determine the structure of a molecule with the NMR I would appreciate it.
Transmembrane 19F NMR chemical shift difference of fluorinated solutes in liposomes,
Linear Mode
