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23 Dec 00:39

Dynamic Density Functional Theories for Inhomogeneous Polymer Systems Compared to Brownian Dynamics Simulations

by Shuanhu Qi and Friederike Schmid

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Macromolecules
DOI: 10.1021/acs.macromol.7b02017
05 Jan 03:50

Spray Drying for Making Covalent Chemistry: Postsynthetic Modification of Metal–Organic Frameworks

by Luis Garzón-Tovar, Sabina Rodríguez-Hermida, Inhar Imaz and Daniel Maspoch

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Journal of the American Chemical Society
DOI: 10.1021/jacs.6b11240
15 Jul 18:10

Photochemistry of Transition Metal Hydrides

by Robin N. Perutz and Barbara Procacci

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Chemical Reviews
DOI: 10.1021/acs.chemrev.6b00204
07 Aug 02:56

Graphene Oxide Liquid Crystals as a Versatile and Tunable Alignment Medium for the Measurement of Residual Dipolar Couplings in Organic Solvents.

by Lei X, Xu Z, Sun H, Wang S, Griesinger C, Peng L, Gao C, Tan RX

Graphene Oxide Liquid Crystals as a Versatile and Tunable Alignment Medium for the Measurement of Residual Dipolar Couplings in Organic Solvents.

J Am Chem Soc. 2014 Jul 30;

Authors: Lei X, Xu Z, Sun H, Wang S, Griesinger C, Peng L, Gao C, Tan RX

Abstract
Residual dipolar couplings (RDCs) have proven to be an invaluable anisotropic NMR parameter for the structural elucidation of complex biopolymers and organic molecules. However, a remaining bottleneck limiting its wider use by organic and natural product chemists is the lack of a range of easily applicable aligning media for diverse organic solvents. In this study, graphene oxide (GO) liquid crystals (LCs) were developed to induce partial orientation of organic molecules allowing RDC measurements. These LCs were determined to be maintainable at very low concentrations (as low as 1 mg/mL, corresponding to a quadrupolar 2H splitting ranging from 2.8 Hz to 30 Hz and 13C-1H dipolar couplings of a maximum of 20 Hz for camphor in CH3COCH3/water system) and to be remarkably stable and broadly compatible with aqueous and organic solvents such as DMSO, CH3COCH3 and CH3CN. Moreover, compared to other alignment media, very clean and high-quality NMR spectra were acquired with the GO molecules in solution because of their rigidity and large molecular weight. The developed medium offers a versatile and robust method for RDC measurements that may routinize the RDC-based structure determination of organic molecules.

PMID: 25075756 [PubMed - as supplied by publisher]

09 Jul 01:28

Design of Three-Dimensional Porous Carbon Materials: From Static to Dynamic Skeletons

by An-Hui Lu, Guang-Ping Hao, Qiang Sun
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A new generation of three-dimensional carbon nanostructures is evolving. These flexible carbon systems based on carbon nanotubes and nanofibers and graphene sheets are capable of substantial shape deformation and thus have exciting applications in flexible electronics, sensors, and complex mechanical structures.