[ASAP] Nanoscale Phase Segregation in Supramolecular ?-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

		BioNMR > Educational resources > Journal club
[ASAP] Nanoscale Phase Segregation in Supramolecular ?-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

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

01-15-2021, 04:25 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

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

[ASAP] Nanoscale Phase Segregation in Supramolecular ?-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

[ASAP] Nanoscale Phase Segregation in Supramolecular ?-Templating for Hybrid Perovskite Photovoltaics from NMR Crystallography

Michael A. Hope?, Toru Nakamura?, Paramvir Ahlawat?, Aditya Mishra?, Manuel Cordova, Farzaneh Jahanbakhshi, Marko Mladenovic?, Rashmi Runjhun, Lena Merten, Alexander Hinderhofer, Brian I. Carlsen, Dominik J. Kubicki, Renana Gershoni-Poranne, Thomas Schneeberger, Loi? C. Carbone, Yuhang Liu, Shaik M. Zakeeruddin, Janusz Lewinski, Anders Hagfeldt, Frank Schreiber, Ursula Rothlisberger, Michael Gra?tzel, Jovana V. Milic?, and Lyndon Emsley

Journal of the American Chemical Society
DOI: 10.1021/jacs.0c11563

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[ASAP] Multimodal Structure Solution with 19F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides Multimodal Structure Solution with 19F NMR Crystallography of Spin Singlet Molybdenum Oxyfluorides Fenghua Ding†?, Kent J. Griffith†?, Can P. Koc¸er§, Richard J. Saballos‡, Yiran Wang†, Chi Zhang‡, Matthew L. Nisbet†, Andrew J. Morris?, James M. Rondinelli‡, and Kenneth R. Poeppelmeier*† https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.0c04019/20200702/images/medium/ja0c04019_0009.gif Journal of the American Chemical Society DOI: 10.1021/jacs.0c04019 http://feeds.feedburner.com/~r/acs/jacsat/~4/nv3lm_kX42s	nmrlearner	Journal club	0	07-04-2020 03:45 AM
[ASAP] Surface Termination of CsPbBr3 Perovskite Quantum Dots Determined by Solid-State NMR Spectroscopy Surface Termination of CsPbBr3 Perovskite Quantum Dots Determined by Solid-State NMR Spectroscopy Yunhua Chen†‡, Sara R. Smock§, Anne H. Flintgruber†, Fre´de´ric A. Perras†, Richard L. Brutchey§, and Aaron J. Rossini†‡ https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.9b13396/20200323/images/medium/ja9b13396_0005.gif Journal of the American Chemical Society DOI: 10.1021/jacs.9b13396 http://feeds.feedburner.com/~r/acs/jacsat/~4/sc-3R00WpHk	nmrlearner	Journal club	0	03-24-2020 04:01 AM
[ASAP] Pressure-Sensitive and Osmolyte-Modulated Liquid–Liquid Phase Separation of Eye-Lens ?-Crystallins Pressure-Sensitive and Osmolyte-Modulated Liquid–Liquid Phase Separation of Eye-Lens ?-Crystallins Süleyman Cinar, Hasan Cinar, Hue Sun Chan, Roland Winter https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.8b13636/20190423/images/medium/ja-2018-13636x_0006.gif Journal of the American Chemical Society DOI: 10.1021/jacs.8b13636 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/0k8PRwEgdm4	nmrlearner	Journal club	0	04-24-2019 09:00 AM
[ASAP] X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.8b00325/20180628/images/medium/bi-2018-00325f_0007.gif Biochemistry DOI: 10.1021/acs.biochem.8b00325 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/h0rNnSSvyKY More...	nmrlearner	Journal club	0	06-29-2018 08:31 AM
[ASAP] Phase Segregation in Potassium-Doped Lead Halide Perovskites from 39K Solid-State NMR at 21.1 T Phase Segregation in Potassium-Doped Lead Halide Perovskites from 39K Solid-State NMR at 21.1 T Dominik J. Kubicki, Daniel Prochowicz, Albert Hofstetter, Shaik M. Zakeeruddin, Michael Grätzel, Lyndon Emsley https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.8b03191/20180531/images/medium/ja-2018-03191d_0005.gif Journal of the American Chemical Society DOI: 10.1021/jacs.8b03191 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/BBIRX6v6V1A	nmrlearner	Journal club	0	06-02-2018 12:51 AM
Solid-phase polarization matrixes for dynamic nuclear polarization from homogeneously distributed radicals in mesostructured hybrid silica materials From The DNP-NMR Blog: Solid-phase polarization matrixes for dynamic nuclear polarization from homogeneously distributed radicals in mesostructured hybrid silica materials Gajan, D., et al., Solid-phase polarization matrixes for dynamic nuclear polarization from homogeneously distributed radicals in mesostructured hybrid silica materials. J Am Chem Soc, 2013. 135(41): p. 15459-66. http://www.ncbi.nlm.nih.gov/pubmed/23978152	nmrlearner	News from NMR blogs	0	01-04-2014 01:39 AM
Solid-Phase Polarization Matrixes for Dynamic Nuclear Polarization from Homogeneously Distributed Radicals in Mesostructured Hybrid Silica Materials From The DNP-NMR Blog: Solid-Phase Polarization Matrixes for Dynamic Nuclear Polarization from Homogeneously Distributed Radicals in Mesostructured Hybrid Silica Materials Gajan, D., et al., Solid-Phase Polarization Matrixes for Dynamic Nuclear Polarization from Homogeneously Distributed Radicals in Mesostructured Hybrid Silica Materials. J. Am. Chem. Soc., 2013. 135(41): p. 15459-15466. http://dx.doi.org/10.1021/ja405822h	nmrlearner	News from NMR blogs	0	12-30-2013 03:15 PM
Supramolecular interactions between losartan and hydroxypropyl-?-CD: ESI mass-spectrometry, NMR techniques, phase solubility, isothermal titration calorimetry and anti-hypertensive studies. Supramolecular interactions between losartan and hydroxypropyl-?-CD: ESI mass-spectrometry, NMR techniques, phase solubility, isothermal titration calorimetry and anti-hypertensive studies. Supramolecular interactions between losartan and hydroxypropyl-?-CD: ESI mass-spectrometry, NMR techniques, phase solubility, isothermal titration calorimetry and anti-hypertensive studies. Int J Pharm. 2011 Feb 14;404(1-2):116-23 Authors: de Paula WX, Denadai AM, Santoro MM, Braga AN, Santos RA, Sinisterra RD In this work, low soluble supramolecular complex...	nmrlearner	Journal club	0	04-13-2011 11:57 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