Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations

		BioNMR > Educational resources > Journal club
Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations

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

04-10-2012, 02:44 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,780

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

Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations

Nature and Structure of Aluminum Surface Sites Grafted on Silica from a Combination of High-Field Aluminum-27 Solid-State NMR Spectroscopy and First-Principles Calculations

Rachel Nathaniel Kerber, Anthony Kermagoret, Emmanuel Callens, Pierre Florian, Dominique Massiot, Anne Lesage, Christophe Cope?ret, Franc?oise Delbecq, Xavier Rozanska and Philippe Sautet

Journal of the American Chemical Society
DOI: 10.1021/ja3008566

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Investigation of the Interface in Silica-Encapsulated Liposomes by Combining Solid State NMR and First Principles Calculations Investigation of the Interface in Silica-Encapsulated Liposomes by Combining Solid State NMR and First Principles Calculations Nicolas Folliet, Claire Roiland, Sylvie Be?gu, Anne Aubert, Tzonka Mineva, Annick Goursot, Kaliaperumal Selvaraj, Luminita Duma, Frederik Tielens, Francesco Mauri, Guillaume Laurent, Christian Bonhomme, Christel Gervais, Florence Babonneau and Thierry Azai?s http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201002r/aop/images/medium/ja-2011-01002r_0009.gif Journal of the American Chemical Society DOI:...	nmrlearner	Journal club	0	10-05-2011 08:52 AM
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data Abstract X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular assemblies and membrane proteins often diffract weakly and such large systems encroach upon the molecular tumbling limit of solution NMR, new methods are essential to extend structures of such systems to high resolution. Here we present a method that incorporates solid-state NMR restraints alongside...	nmrlearner	Journal club	0	09-26-2011 06:42 AM
High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data. High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data. High-resolution membrane protein structure by joint calculations with solid-state NMR and X-ray experimental data. J Biomol NMR. 2011 Sep 22; Authors: Tang M, Sperling LJ, Berthold DA, Schwieters CD, Nesbitt AE, Nieuwkoop AJ, Gennis RB, Rienstra CM Abstract X-ray diffraction and nuclear magnetic resonance spectroscopy (NMR) are the staple methods for revealing atomic structures of proteins. Since crystals of biomolecular...	nmrlearner	Journal club	0	09-23-2011 05:30 PM
Fast Characterization of Functionalized Silica Materials by Silicon-29 Surface-Enhanced NMR Spectroscopy Using Dynamic Nuclear Polarization Fast Characterization of Functionalized Silica Materials by Silicon-29 Surface-Enhanced NMR Spectroscopy Using Dynamic Nuclear Polarization Moreno Lelli, David Gajan, Anne Lesage, Marc A. Caporini, Veronika Vitzthum, Pascal Mie?ville, Florent He?roguel, Fernando Rasco?n, Arthur Roussey, Chloe? Thieuleux, Malika Boualleg, Laurent Veyre, Geoffrey Bodenhausen, Christophe Cope?ret and Lyndon Emsley http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja110791d/aop/images/medium/ja-2010-10791d_0005.gif Journal of the American Chemical Society...	nmrlearner	Journal club	0	02-01-2011 06:33 AM
[NMR paper] Soft-pulsed aluminum-27 quadrupolar central transition NMR studies of ovotransferrin Soft-pulsed aluminum-27 quadrupolar central transition NMR studies of ovotransferrin http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Soft-pulsed aluminum-27 quadrupolar central transition NMR studies of ovotransferrin J Magn Reson. 1997 Dec;129(2):111-4 Authors: Aramini JM, Germann MW, Vogel HJ We have employed soft (Gaussian) pulses to examine 27Al NMR signals arising from Al3+ bound to ovotransferrin. In addition to enhancing the general detectability of 27Al...	nmrlearner	Journal club	0	08-22-2010 05:08 PM
[NMR paper] The effects of temperature, viscosity, and molecular size on the aluminum-27 QCT NMR The effects of temperature, viscosity, and molecular size on the aluminum-27 QCT NMR of transferrins. Related Articles The effects of temperature, viscosity, and molecular size on the aluminum-27 QCT NMR of transferrins. J Magn Reson B. 1996 Feb;110(2):182-7 Authors: Aramini JM, Vogel HJ A number of reports in recent years have demonstrated the feasibility of detecting quadrupolar metal ions bound tightly to rather large proteins via the quadrupolar central transition (QCT) NMR approach. In this article, an in-depth investigation of several...	nmrlearner	Journal club	0	08-22-2010 02:27 PM
[NMR paper] The mechanism of aluminum-independent G-protein activation by fluoride and magnesium. The mechanism of aluminum-independent G-protein activation by fluoride and magnesium. 31P NMR spectroscopy and fluorescence kinetic studies. Related Articles The mechanism of aluminum-independent G-protein activation by fluoride and magnesium. 31P NMR spectroscopy and fluorescence kinetic studies. J Biol Chem. 1993 Feb 5;268(4):2393-402 Authors: Antonny B, Sukumar M, Bigay J, Chabre M, Higashijima T With magnesium present, fluoride and aluminum ions activate heterotrimeric G-proteins by forming AlFx complexes that mimic the gamma phosphate of...	nmrlearner	Journal club	0	08-21-2010 11:53 PM
[NMR paper] Examination of elongation factor Tu for aluminum fluoride binding sites using fluores Examination of elongation factor Tu for aluminum fluoride binding sites using fluorescence and 19F-NMR methodologies. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles Examination of elongation factor Tu for aluminum fluoride binding sites using fluorescence and 19F-NMR methodologies. FEBS Lett. 1991 Jan 28;278(2):225-8 Authors: Hazlett TL, Higashijima T, Jameson DM This article reports on a comparison of the interaction of Al3+ and F- with two GTP-binding proteins,...	nmrlearner	Journal club	0	08-21-2010 11:16 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