Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via 19F NMR Barcodes

		BioNMR > Educational resources > Journal club
Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via 19F NMR Barcodes

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

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:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

12-04-2015, 09:59 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,733

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via 19F NMR Barcodes

Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via 19F NMR Barcodes

Jo?rg Axthelm, Helmar Go?rls, Ulrich S. Schubert and Alexander Schiller

Journal of the American Chemical Society
DOI: 10.1021/jacs.5b10934

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis. Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis. Discrimination of human semen specimens by NMR data, sperm parameters, and statistical analysis. Syst Biol Reprod Med. 2015 Aug 3;:1-7 Authors: Bonechi C, Collodel G, Donati A, Martini S, Moretti E, Rossi C Abstract Human seminal fluid is a complex mixture of secretions originated from epididymis and the male accessory sex glands. It contains a variety of both inorganic and organic components, among which proteins are a major part of...	nmrlearner	Journal club	0	08-04-2015 03:00 PM
[NMR paper] NMR study into the mechanism of recognition of the degree of polymerization by oligo/polysialic acid antibodies. NMR study into the mechanism of recognition of the degree of polymerization by oligo/polysialic acid antibodies. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR study into the mechanism of recognition of the degree of polymerization by oligo/polysialic acid antibodies. Bioorg Med Chem. 2013 Oct 1;21(19):6069-76 Authors: Hanashima S, Sato C, Tanaka H, Takahashi T, Kitajima K, Yamaguchi Y Abstract Oligo/polysialic acids consisting...	nmrlearner	Journal club	0	04-08-2014 08:02 PM
[NMR paper] Conformational Preferences of N,N-Dimethylsuccinamate as a Function of Alkali and Alkaline Earth Metal Salts: Experimental Studies in DMSO and Water as Determined by (1)H-NMR Spectroscopy. Conformational Preferences of N,N-Dimethylsuccinamate as a Function of Alkali and Alkaline Earth Metal Salts: Experimental Studies in DMSO and Water as Determined by (1)H-NMR Spectroscopy. Related Articles Conformational Preferences of N,N-Dimethylsuccinamate as a Function of Alkali and Alkaline Earth Metal Salts: Experimental Studies in DMSO and Water as Determined by (1)H-NMR Spectroscopy. J Phys Chem A. 2014 Feb 7; Authors: Lai HW, Liu AT, Emenike BU, Carroll WR, Roberts JD Abstract The fraction of gauche conformers of...	nmrlearner	Journal club	0	02-11-2014 09:58 PM
[Stan NMR blog] Metabolomics of Intact Tissues: Discrimination Between Osteolytic Lesion Regions ... Metabolomics of Intact Tissues: Discrimination Between Osteolytic Lesion Regions ... A nice and novel application of NMR in clinical medicine (2012 poster). Source: Stan blog library	nmrlearner	News from NMR blogs	0	01-21-2014 11:10 PM
[NMR paper] Natural compounds against Alzheimer's disease: molecular recognition of A?1-42 peptide by Salvia sclareoides extract and its major component, rosmarinic acid, as investigated by NMR. Natural compounds against Alzheimer's disease: molecular recognition of A?1-42 peptide by Salvia sclareoides extract and its major component, rosmarinic acid, as investigated by NMR. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles Natural compounds against Alzheimer's disease: molecular recognition of A?1-42 peptide by Salvia sclareoides extract and its major component, rosmarinic acid, as investigated by NMR. Chem Asian J. 2013 Mar;8(3):596-602 ...	nmrlearner	Journal club	0	08-01-2013 12:56 PM
[Question from NMRWiki Q&A forum] About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra About paragnetic impurities, inorganic salts, bad workups, etc. and their impact on small-molecule NMR spectra I sometimes face the challenge of explaining to my organic chemists that, even if no impurity signals are visible in their 1H spectrum, other signs (like FID shape, very poor s/n compared to what could be expected with the sample qty, broad peaks, bad resolution...) indicate that clearly, something is wrong with their sample. Everybody would agree that it's way much easier to convince an invidual based on concrete facts ("look, here we can see solvent/starting material/side...	nmrlearner	News from other NMR forums	0	03-31-2011 09:21 PM
[NMR paper] Synthesis of [3,4-(13)c(2)]-enriched bile salts as NMR probes of protein-ligand inter Synthesis of -enriched bile salts as NMR probes of protein-ligand interactions. Related Articles Synthesis of -enriched bile salts as NMR probes of protein-ligand interactions. J Org Chem. 2002 Sep 20;67(19):6764-71 Authors: Tochtrop GP, DeKoster GT, Cistola DP, Covey DF Synthetic methodology that allows for incorporation of isotopic carbon at the C-3 and C-4 positions of bile salts is reported. Three -enriched bile salts were synthesized from either deoxycholic or lithocholic acid. The steroid 3alpha-OH group was oxidized and the A-ring was...	nmrlearner	Journal club	0	11-24-2010 08:58 PM
[NMR paper] A simple efficient synthesis of [23,24]-(13)C(2)-labeled bile salts as NMR probes of A simple efficient synthesis of -(13)C(2)-labeled bile salts as NMR probes of protein-ligand interactions. Related Articles A simple efficient synthesis of -(13)C(2)-labeled bile salts as NMR probes of protein-ligand interactions. Bioorg Med Chem Lett. 2002 Feb 11;12(3):433-5 Authors: Tochtrop GP, DeKoster GT, Cistola DP, Covey DF The synthesis of -(13)C(2)-labeled bile salts is achieved through a steroidal side chain degradation and isotopic regeneration strategy. Three common bile acids were degraded to the corresponding C(22 )aldehyde by an...	nmrlearner	Journal club	0	11-24-2010 08:49 PM

« Previous Thread | Next 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 On Trackbacks are Off Pingbacks are Off Refbacks are Off