BACKGROUND The ratio of 3'hydroxycotinine to cotinine, or nicotine metabolite ratio (NMR), is strongly associated with CYP2A6 genotype, CYP2A6-mediated nicotine and cotinine metabolism, and nicotine clearance. Higher NMR (faster nicotine clearance) is associated retrospectively with heavier smoking and lower cessation rates. METHODS NMR as a predictive biomarker of cessation outcomes is being...

Sparse sampling offers tremendous potential for overcoming the time limitations imposed by traditional Cartesian sampling of indirectly detected dimensions of multidimensional NMR data. However, in many instances sensitivity rather than time remains of foremost importance when collecting data on protein samples. Here we explore how to optimize the collection of radial sampled multidimensional N...

We have developed an online NMR / X-ray Structure Pair Data Repository. The NIGMS Protein Structure Initiative (PSI) has provided many valuable reagents, 3D structures, and technologies for structural biology. The Northeast Structural Genomics Consortium was one of several PSI centers. NESG used both X-ray crystallography and NMR spectroscopy for protein structure determination. A key goal of t...

NMR spectroscopy is a powerful tool for studying the structure, function and dynamics of biological macromolecules. However, non-spectroscopists often find NMR theory daunting and data interpretation nontrivial. As the first of two back-to-back reviews on NMR spectroscopy aimed at non-spectroscopists, the present review first provides an introduction to the basics of macromolecular NMR spectros...

(1)H-NMR and (13)C-NMR assignments of 12-oleanene-3,11-dione (compound 1) were completely described for the first time through conventional 1D NMR and 2D shift-correlated NMR experiments using (1)H-(1)HCOSY, HMQC, HMBC techniques. Based on its NMR data, the assignments of 28-hydroxyolean-12-ene-3,11-dione (compound 2) were partially revised.

in this research an effective and appropriate method has been developed for one-pot synthesis of new n-phenyl fulleroisoxazoline using fe3o4@sio2 nanoparticles as a green magnetically recyclable catalyst. the prepared catalytic samples were characterized by xrd, sem, ft-ir and vsm. the products have been characterized by physical and spectroscopic data such as ir, 1h nmr, 13c nmr, and ms analyses.

B. Reduction in Saddle-Type Coil Size 5 C. Solenoidal Coils and Magic Angle Spinning 5 D. Microcoils 6 E. Microfabrication 7 F. Direct Comparisons of Probe Sensitivity 8 V. Microliter-Volume Static NMR Spectroscopy 9 A. Natural Product Extracts 9 B. Analysis of Combinatorial Chemistry Products 10 VI. Nanoliter-Volume Static NMR Spectroscopy 10 VII. NMR Detection of Capillary Separations 12 A. F...

Recent advances in nuclear magnetic resonance (NMR) methodology and improvements in high-field NMR instrumentation have generated a new wave of research interests in the application of solid-state NMR to the study of quadrupolar nuclei. These developments now permit increasingly complex biological systems to be probed by quadrupolar NMR. In this review I describe a few recent developments in NM...

phytochemical investigation of the dichloromethane extract of the dried roots of ferula badrakema resulted in the identification of one new and six known compounds. known compounds were sesquiterpene coumarins: mogoltacin, feselol, badrakemin acetate, ferocaulidin, conferone and conferol acetate. the new compound was a sesquiterpene, named badrakemonin. the structures of these compounds were el...

conformational properties of n-aryl-1-azacyclooctan-5- ones with a p-methyl, m-methyl, and p-methoxy group as a substituent have been studied by 1h-nmr, 13c-nmr and ir spectroscopies. transannular interaction of the two functional groups have been examined from the ring inversion barriers and the carbonyl vibrational frequencies with reference to the corresponding data of the respective monofun...