BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > NMR community > News from NMR blogs
Advanced Search



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 03-25-2015, 10:58 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 21,849
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default 13C NMR of Vitamin C - Solids vs. Liquids NMR

13C NMR of Vitamin C - Solids vs. Liquids NMR

In 13C[1H] NMR spectra of liquids, one observes a single resonance for each symmetrically nonequivalent carbon atom. The same is true of the 13C CPMAS spectra of solids. The difference is that the molecular symmetry is the determining factor in liquids NMR whereas the crystallographic symmetry is the determining factor in solids NMR. As a result, solids NMR can give different spectra for different solid polymorphs and multiple resonances due to multiple nonequivalent molecules in the asymmetric unit of the crystal structure. The figure below compares the solids 13C CPMAS and liquids 13C[1H] NMR spectra of a vitamin C (ascorbic acid) tablet.

The structure is provided in the figure and the assignment for all of the carbon atoms is color coded. In the liquids spectrum, one observes resonances for each carbon in the molecule. In the 13C CPMAS spectrum, one observes that three of the six 13C resonances are doubled. This doubling is consistent with there being two nonequivalent ascorbic acid molecules in the asymmetric unit of the crystal. Presumably, the other three resonance are doubled as well but there is insufficient resolution in the spectrum for this observation. The broad features in the spectrum are due to additives in the vitamin C tablet which include, hypromellose, stearic acid and carnauba wax.


Source: University of Ottawa NMR Facility Blog
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
Hybrid polarizing solids for pure hyperpolarized liquids through dissolution dynamic nuclear polarization
From The DNP-NMR Blog: Hybrid polarizing solids for pure hyperpolarized liquids through dissolution dynamic nuclear polarization Gajan, D., et al., Hybrid polarizing solids for pure hyperpolarized liquids through dissolution dynamic nuclear polarization. Proc. Nat. Aca. Sci. USA, 2014. 111(41): p. 14693-14697. http://www.pnas.org/content/111/41/14693.abstract
nmrlearner News from NMR blogs 0 11-12-2014 03:02 PM
[NMR paper] 19F NMR study on the complex of fluorinated vitamin D derivatives with vitamin D receptor: elucidation of the conformation of vitamin D ligands accommodated in the receptor.
19F NMR study on the complex of fluorinated vitamin D derivatives with vitamin D receptor: elucidation of the conformation of vitamin D ligands accommodated in the receptor. Related Articles 19F NMR study on the complex of fluorinated vitamin D derivatives with vitamin D receptor: elucidation of the conformation of vitamin D ligands accommodated in the receptor. J Med Dent Sci. 2011;58(4):103-12 Authors: Morizono D Abstract Nuclear receptors mediate allosteric communications where ligand binding initiates a cascade of signal...
nmrlearner Journal club 0 09-23-2014 01:57 PM
Metabolic profiling of vitamin C deficiency in Guloâ??/â?? mice using proton NMR spectroscopy
Metabolic profiling of vitamin C deficiency in Guloâ??/â?? mice using proton NMR spectroscopy Abstract Nutrient deficiencies are an ongoing problem in many populations and ascorbic acid is a key vitamin whose mild or acute absence leads to a number of conditions including the famously debilitating scurvy. As such, the biochemical effects of ascorbate deficiency merit ongoing scrutiny, and the Gulo knockout mouse provides a useful model for the metabolomic examination of vitamin C deficiency. Like humans, these animals are incapable of synthesizing ascorbic acid but with dietary...
nmrlearner Journal club 0 03-03-2011 02:06 AM
Post-Doc fellowship in NMR Methods to Study Ionic Solids/liquids - Univ. of Aveiro/Lisbon (Portugal)
Post-Doc fellowship in NMR Methods to Study Ionic Solids/liquids - Univ. of Aveiro/Lisbon (Portugal) A 1-year postdoctoral position is available starting from January 2011, (extendable for additional 12 months) to study the “solid structure” of ionic liquids (ILs) and ionic solids (ISs) with relevance to the pharmaceutical industry. The research will be centred in the use of NMR techniques in tandem with molecular modelling to study the physical chemistry of molecular interactions in ILs and ISs. The project will be performed at the NMR centres at the Universities of Aveiro (solid state...
nmrlearner Job marketplace 0 12-01-2010 08:36 PM
[NMR paper] Vitamin C metabolomic mapping in the lens with 6-deoxy-6-fluoro-ascorbic acid and hig
Vitamin C metabolomic mapping in the lens with 6-deoxy-6-fluoro-ascorbic acid and high-resolution 19F-NMR spectroscopy. Related Articles Vitamin C metabolomic mapping in the lens with 6-deoxy-6-fluoro-ascorbic acid and high-resolution 19F-NMR spectroscopy. Invest Ophthalmol Vis Sci. 2003 May;44(5):2047-58 Authors: Satake M, Dmochowska B, Nishikawa Y, Madaj J, Xue J, Guo Z, Reddy DV, Rinaldi PL, Monnier VM PURPOSE: Metabolomics, or metabolic profiling, is an emerging discipline geared to providing information on a large number of metabolites,...
nmrlearner Journal club 0 11-24-2010 09:01 PM
[NMR paper] Characterization of the EGF-like module pair 3-4 from vitamin K-dependent protein S u
Characterization of the EGF-like module pair 3-4 from vitamin K-dependent protein S using NMR spectroscopy reveals dynamics on three separate time scales and extensive effects from calcium binding. Related Articles Characterization of the EGF-like module pair 3-4 from vitamin K-dependent protein S using NMR spectroscopy reveals dynamics on three separate time scales and extensive effects from calcium binding. Biochemistry. 2000 Dec 26;39(51):15742-56 Authors: Muranyi A, Evenäs J, Stenberg Y, Stenflo J, Drakenberg T Protein S, a cofactor of...
nmrlearner Journal club 0 11-19-2010 08:29 PM


Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Rate This Thread:

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is Off
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2022, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 03:26 AM.


Map