Nuclear magnetic resonance (NMR) spectroscopy is extremely powerful for chemical analysis but it suffers from lower mass sensitivity compared to many other analytical detection methods. NMR microcoils have been developed in response to this limitation, but interfacing these coils with small sample volumes is a challenge. We introduce here the first digital microfluidic system capable of interfa...

We report solid-state 23Na NMR and X-ray crystallographic results for a self-assembled G-quadruplex channel formed by a guanine nucleoside, 5'-tert-butyl-dimethylsilyl-2',3'-O-isopropylidene guanosine (G 1). The study provides an unambiguous 23Na NMR identification for the Na+ ions inside a lipophilic G-quadruplex channel. The crystalline nature of the sample yields a remarkably high resolution...

Diffusion in solids, which requires the presence of crystal defects or disorder, has both microscopic and macroscopic aspects. Nuclear magnetic resonance techniques provide access to microscopic diffusion parameters like atomic jump rates and activation energies as well as to the tracer diffusion coefficient for macroscopic transport. Microscopic NMR methods include spin-lattice relaxation spec...

Experimental Section S3 Synthesis and Characterization of Scandium Boryl Carbene Complex (2) S4 Synthesis and Characterization of Phenylamido Enolate Complex (3) S4 13C-Labeled Experiments for Complex 3 S5 Synthesis and Characterization of Scandium Alkoxide Complex (4) S5 Synthesis and Characterization of Scandium Pyridyl Complex (5) S6 Figure S1. ORTEP drawings of 5 S6 Synthesis and Characteri...

Molecular dynamics simulation results on hydrogen bonding in mixtures of methanol with CO2 at supercritical, liquid-like conditions are compared to 1H NMR spectroscopic data that have recently become available. The molecular models are parametrized using vapor-liquid equilibrium data only, which they reliably describe. A new molecular model for methanol of Lennard-Jones plus point charge type i...

Multidimensional acquisitions play a central role in the progress and applications of nuclear magnetic resonance (NMR) spectroscopy. Such experiments have been collected traditionally as an array of one-dimensional scans, with suitably incremented delay parameters that encode along independent temporal domains the nD spectral distribution being sought. During the past few years, an ultrafast ap...

The binding site interactions between the phosphorylcholine (phosphocholine)-binding mouse myeloma proteins TEPC 15, W3207, McPC 603, MOPC 167, and MOPC 511 and the isotopically substituted hapten phosphoryl[methyl-13C]choline have been investigated using 13C and 31P nuclear magnetic resonance (NMR) spectroscopy. Each protein exhibits a unique NMR pattern, but extensive similarities in chemical...

Tetrahedrally coordinated copper(I) complexes C11L4X have been synthesized, L being P(OR)3, PR3 or P(R)n(OR)3-n, and X being a non-coordinating anion such as Perchlorate or tetrafluoroborate. Depending on the nature of the bound phosphorus ligand the Cu(I) complexes give well resolved 63Cu NMR spectra including a quintet signal due to spin-spin coupling between 63Cu and 31P. The 63Cu NMR spectr...

We report new phenomena in low-field 1H nuclear magnetic resonance (NMR) spectroscopy using parahydrogen induced polarization (PHIP), enabling determination of chemical shift differences, δν, and the scalar coupling constant J. NMR experiments performed with thermal polarization in millitesla magnetic fields do not allow the determination of scalar coupling constants for homonuclear coupled spi...

Most biologically relevant environments involve highly concentrated macromolecular solutions and most biological processes involve macromolecules that diffuse and interact with other macromolecules. Macromolecular crowding is a general phenomenon that strongly affects the transport properties of macromolecules (rotational and translational diffusion) as well as the position of their equilibria....