Efforts to tune the bulk physical properties of concrete are hindered by a lack of knowledge related to the atomic-level structure and growth of calcium silicate hydrate phases, which form about 50–60% by volume of cement paste. Here we describe the first synthesis of compositionally uniform calcium silicate hydrate phases with Ca:Si ratios tunable between 1.0 and 2.0. The calcium silicate hydrate synthesized here does not contain a secondary Ca(OH)2 phase, even in samples with Ca:Si ratios above 1.6, which is unprecedented for synthetic calcium silicate hydrate systems. We then solve the atomic-level three-dimensional structure of these materials using dynamic nuclear polarization enhanced 1H and 29Si nuclear magnetic resonance experiments in combination with atomistic simulations and density functional theory chemical shift calculations. We discover that bridging interlayer calcium ions are the defining structural characteristic of single-phase cementitious calcium silicate hydrate, inducing the strong hydrogen bonding that is responsible for stabilizing the structure at high Ca:Si ratios.
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Atomic-level motion may drive bacteria's ability to evade immune system defenses, finds IU study - IU Newsroom
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Atomic-level motion may drive bacteria's ability to evade immune system defenses, finds IU study
IU Newsroom
Through the use of nuclear magnetic resonance spectroscopy, he and colleagues measured the movement of atoms in CzrA and identified those most affected by zinc. They then "swapped" these atoms out with different amino acids and found that the protein ...
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Atomic-level motion may drive...
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05-16-2017 10:27 PM
Atomic-level motion may drive bacteria's ability to evade immune system defenses - Science Daily
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Science Daily
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Atomic-level motion may drive bacteria's ability to evade immune system defenses
Science Daily
Through the use of nuclear magnetic resonance spectroscopy, he and colleagues measured the movement of atoms in CzrA and identified those most affected by zinc. They then "swapped" these atoms out with different amino acids and found that the protein ...
and more »
Atomic-level motion may drive bacteria's...
nmrlearner
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04-22-2017 07:21 AM
Atomic-Level Structure Characterization of Biomass Pre- and Post-Lignin Treatment by Dynamic Nuclear Polarization-Enhanced Solid-State NMR #DNPNMR
From The DNP-NMR Blog:
Atomic-Level Structure Characterization of Biomass Pre- and Post-Lignin Treatment by Dynamic Nuclear Polarization-Enhanced Solid-State NMR #DNPNMR
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Perras, F.A., et al., Atomic-Level Structure Characterization of Biomass Pre- and Post-Lignin Treatment by Dynamic Nuclear Polarization-Enhanced Solid-State NMR. The Journal of Physical Chemistry A, 2017. 121(3): p. 623-630.
http://dx.doi.org/10.1021/acs.jpca.6b11121
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04-15-2017 03:24 AM
Solid state NMR of isotope labelled murine fur: a powerful tool to study atomic level keratin structure and treatment effects
Solid state NMR of isotope labelled murine fur: a powerful tool to study atomic level keratin structure and treatment effects
Abstract
We have prepared mouse fur extensively 13C,15N-labelled in all amino acid types enabling application of 2D solid state NMR techniques which establish covalent and spatial proximities within, and in favorable cases between, residues. 13C double quantumâ??single quantum correlation and proton driven spin diffusion techniques are particularly useful for resolving certain amino acid types. Unlike 1D experiments on...
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11-19-2016 08:35 PM
Correlating Synthetic Methods, Morphology, Atomic-Level Structure, and Catalytic Activity of Sn-? Catalysts
From The DNP-NMR Blog:
Correlating Synthetic Methods, Morphology, Atomic-Level Structure, and Catalytic Activity of Sn-? Catalysts
Wolf, P., et al., Correlating Synthetic Methods, Morphology, Atomic-Level Structure, and Catalytic Activity of Sn-? Catalysts. ACS Catalysis, 2016. 6(7): p. 4047-4063.
http://dx.doi.org/10.1021/acscatal.6b00114
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07-13-2016 10:22 PM
[NMR paper] Cationic membrane peptides: atomic-level insight of structure-activity relationships from solid-state NMR.
Cationic membrane peptides: atomic-level insight of structure-activity relationships from solid-state NMR.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--production.springer.de-OnlineResources-Logos-springerlink.gif Related Articles Cationic membrane peptides: atomic-level insight of structure-activity relationships from solid-state NMR.
Amino Acids. 2013 Mar;44(3):821-33
Authors: Su Y, Li S, Hong M
Abstract
Many membrane-active peptides, such as cationic cell-penetrating peptides (CPPs) and antimicrobial peptides...
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08-15-2013 07:45 PM
[NMR paper] NMR paves the way for atomic level descriptions of sparsely populated, transiently formed biomolecular conformers.
NMR paves the way for atomic level descriptions of sparsely populated, transiently formed biomolecular conformers.
Related Articles NMR paves the way for atomic level descriptions of sparsely populated, transiently formed biomolecular conformers.
Proc Natl Acad Sci U S A. 2013 Jul 18;
Authors: Sekhar A, Kay LE
Abstract
The importance of dynamics to biomolecular function is becoming increasingly clear. A description of the structure-function relationship must, therefore, include the role of motion, requiring a shift in paradigm from...
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07-23-2013 09:52 PM
[NMR paper] HYDRONMR: prediction of NMR relaxation of globular proteins from atomic-level structu
HYDRONMR: prediction of NMR relaxation of globular proteins from atomic-level structures and hydrodynamic calculations.
Related Articles HYDRONMR: prediction of NMR relaxation of globular proteins from atomic-level structures and hydrodynamic calculations.
J Magn Reson. 2000 Nov;147(1):138-46
Authors: García de la Torre J, Huertas ML, Carrasco B
The heteronuclear NMR relaxation of globular proteins depends on the anisotropic rotational diffusion tensor. Using our previous developments for prediction of hydrodynamic properties of arbitrarily...
The Atomic-Level Structure of Cementitious Calcium Silicate Hydrate
Linear Mode
