NMR paper Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid-State NMR

		BioNMR > Educational resources > Journal club
[NMR paper] Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid-State NMR

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

10-10-2017, 04:48 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

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

Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid-State NMR

Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid-State NMR

Molecular orientation in amorphous organic semiconducting thin film devices is an important issue affecting device performances. However, to date it has not been possible to analyze the "distribution" of the orientations. Although solid-state NMR (ssNMR) can provide information on the distribution of molecular orientations, the technique is limited because of the small amounts of sample in the devices and the low sensitivity of ssNMR. Here, we report the first application of dynamic nuclear polarization enhanced ssNMR (DNP-ssNMR) to orientational analysis of amorphous phenyldi(pyren-1-yl)phosphine oxide (POPy2). The 31P DNP-ssNMR spectra exhibited a sufficient signal-to-noise ratio to quantify the distribution of molecular orientations in amorphous films: the P=O axis of the vacuum-deposited and drop-cast POPy2 shows anisotropic and isotropic distribution, respectively. The different molecular orientations reflect the molecular origin of the different charge transport behaviors.

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Is solid-state NMR enhanced by dynamic nuclear polarization? From The DNP-NMR Blog: Is solid-state NMR enhanced by dynamic nuclear polarization? Lee, D., S. Hediger, and G. De Paepe, Is solid-state NMR enhanced by dynamic nuclear polarization? Solid State Nucl Magn Reson, 2015. 66-67C(0): p. 6-20. http://www.ncbi.nlm.nih.gov/pubmed/25779337	nmrlearner	News from NMR blogs	0	05-02-2015 02:38 AM
Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy From The DNP-NMR Blog: Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy Guo, Z., et al., Selective Host-Guest Interaction between Metal Ions and Metal-Organic Frameworks using Dynamic Nuclear Polarization Enhanced Solid-State NMR Spectroscopy. Chemistry, 2014: p. n/a-n/a. http://www.ncbi.nlm.nih.gov/pubmed/25297002	nmrlearner	News from NMR blogs	0	10-23-2014 05:11 AM
[NMR paper] Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids. Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids. J Magn Reson. 2013 Jun;231:5-14 Authors: Potapov A, Yau WM, Tycko R Abstract We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR...	nmrlearner	Journal club	0	01-11-2014 07:50 PM
Dynamic nuclear polarization-enhanced 1H–13C double resonance NMR in static samples below 20 K From The DNP-NMR Blog: Dynamic nuclear polarization-enhanced 1H–13C double resonance NMR in static samples below 20 K I think I missed this one from 2012 Potapov, A., et al., Dynamic nuclear polarization-enhanced 1H–13C double resonance NMR in static samples below 20 K. J. Magn. Reson., 2012. 221(0): p. 32-40.	nmrlearner	News from NMR blogs	0	11-21-2013 01:14 AM
Dynamic Nuclear Polarization Enhanced NMR in the Solid-State From The DNP-NMR Blog: Dynamic Nuclear Polarization Enhanced NMR in the Solid-State Akbey, Ü., et al., Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. 2013, Springer Berlin Heidelberg. p. 1-48. http://dx.doi.org/10.1007/128_2013_436	nmrlearner	News from NMR blogs	0	08-26-2013 08:46 PM
[NMR paper] Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Dynamic Nuclear Polarization Enhanced NMR in the Solid-State. Top Curr Chem. 2013 Jul 7; Authors: Akbey U, Franks WT, Linden A, Rydmark MO, Lange S, Oschkinat H Abstract Nuclear magnetic resonance (NMR) spectroscopy is one of the most commonly used spectroscopic techniques to obtain information on the structure and dynamics of biological and chemical materials. A variety of samples can be studied including solutions, crystalline solids, powders and hydrated protein...	nmrlearner	Journal club	0	07-09-2013 02:47 PM
Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids From The DNP-NMR Blog: Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids Potapov, A., W.M. Yau, and R. Tycko, Dynamic nuclear polarization-enhanced (13)C NMR spectroscopy of static biological solids. J Magn Reson, 2013. 231(0): p. 5-14. http://www.ncbi.nlm.nih.gov/pubmed/23562665	nmrlearner	News from NMR blogs	0	06-25-2013 12:17 AM
Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids Available online 27 February 2013 Publication year: 2013 Source:Journal of Magnetic Resonance</br> </br> We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR without sample spinning. Specifically, we use 2D 13C-13C exchange spectroscopy to probe the peptide backbone torsion angles (?,?) in a series of selectively 13C-labeled 40-residue ?-amyloid (A ?1-40) samples, in both fibrillar and...	nmrlearner	Journal club	0	02-28-2013 07:57 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