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

Go Back   BioNMR > Educational resources > Journal club
Advanced Search
Home Forums Wiki NMR feeds Downloads Register Today's Posts



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  
Old 11-19-2015, 05:22 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,777
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 From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR.

From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR.

Related Articles From Spill to Sequestration: The Molecular Journey of Contamination via Comprehensive Multiphase NMR.

Environ Sci Technol. 2015 Nov 18;

Authors: Masoom H, Courtier-Murias D, Soong R, Maas WE, Fey M, Kumar R, Monette M, Stronks HJ, Simpson MJ, Simpson AJ

Abstract
Comprehensive Multiphase NMR is a novel NMR technique that permits all components (solutions, gels, and solids) to be studied in unaltered natural samples. In this study a wide range of CMP-NMR interaction and editing-based experiments are combined to follow contaminants (pentafluorophenol (PFP) and perfluorooctanoic acid (PFOA)) from the solution state (after a spill) through the gel-state and finally into the true solid-state (sequestered) in an intact water-swollen soil. Kinetics experiments monitoring each phase illustrate PFOA rapidly transfers from solution to the solid phase while for PFP the process is slower with longer residence times in the solution and gel phase. Interaction-based experiments reveal that PFOA enters the soil via its hydrophobic tails and selectively binds to soil microbial protein. PFP sorption shows less specificity exhibiting interactions with a range of gel and solid soil components with a preference towards aromatics (mainly lignin). The results indicate that in addition to more traditional measurements such as Koc, other factors including the influence of the contaminant on the soil-water interface, specific biological interactions, soil composition (content of lignin, protein, etc.) and physical accessibility/swellability of soil organic components will likely be central to better explaining and predicting the true behavior of contaminants in soil.


PMID: 26579583 [PubMed - as supplied by publisher]



More...
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMR paper] Application of comprehensive NMR-based analysis strategy in annotation, isolation and structure elucidation of low molecular weight metabolites of Ricinus communis seeds.
Application of comprehensive NMR-based analysis strategy in annotation, isolation and structure elucidation of low molecular weight metabolites of Ricinus communis seeds. Related Articles Application of comprehensive NMR-based analysis strategy in annotation, isolation and structure elucidation of low molecular weight metabolites of Ricinus communis seeds. Phytochem Anal. 2015 Oct 14; Authors: Vu?kovi? I, Rapinoja ML, Vaismaa M, Vanninen P, Koskela H Abstract INTRODUCTION: Powder-like extract of Ricinus communis seeds contain a...
nmrlearner Journal club 0 10-16-2015 01:44 PM
[Question from NMRWiki Q&A forum] Diamagnetic contamination
Diamagnetic contamination How to determine diamagnetic contamination in PRE experiments.In what extent it will effect the Gamma2 values? Check if somebody has answered this question on NMRWiki QA forum
nmrlearner News from other NMR forums 0 12-14-2012 08:57 PM
[NMR900 blog] Postdoctoral Research Associate in multiphase NMR Spectroscopy
Postdoctoral Research Associate in multiphase NMR Spectroscopy Environmental NMR Centre, Department of Chemistry, University of Toronto at Scarborough, Toronto, Ontario, Canada Project Description: This is a unique opportunity to develop a novel area of NMR spectroscopy termed Comprehensive Multiphase NMR spectroscopy (CMP NMR). CMP NMR is a new area of NMR spectroscopy that incorporates solid-state, semi-solids (HR-MAS) and solution-state NMR (J. Magn. Reson. 2012; 217:61-76). The goal is to take samples such as tissues, plants, cells, soils etc. in their natural fully swollen...
nmrlearner News from NMR blogs 0 07-07-2012 10:16 PM
[NMR paper] The hydration of amides in helices; a comprehensive picture from molecular dynamics,
The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR. Related Articles The hydration of amides in helices; a comprehensive picture from molecular dynamics, IR, and NMR. Protein Sci. 2003 Mar;12(3):520-31 Authors: Walsh ST, Cheng RP, Wright WW, Alonso DO, Daggett V, Vanderkooi JM, DeGrado WF We examined the hydration of amides of alpha(3)D, a simple, designed three-helix bundle protein. Molecular dynamics calculations show that the amide carbonyls on the surface of the protein tilt away from the...
nmrlearner Journal club 0 11-24-2010 09:01 PM
Comprehensive Solid-State NMR Characterization of Electronic Structure in Ditechnetiu
Comprehensive Solid-State NMR Characterization of Electronic Structure in Ditechnetium Heptoxide Herman Cho et al http://pubs.acs.org//appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja105687j/aop/images/medium/ja-2010-05687j_0002.gifJournal of the American Chemical Society, Volume 0, Issue 0, Articles ASAP (As Soon As Publishable). Source: Journal of the American Chemical Society
nmrlearner Journal club 0 09-01-2010 10:56 AM



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



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



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2024, 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 07:56 PM.


Map