High-precision frequency measurements: indispensable tools at the core of the molecular-level analysis of complex systems

[1]  R. Rosenfeld.  Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.

[2]  Johannes C. Hermann,et al.  Structure-based activity prediction for an enzyme of unknown function , 2007, Nature.

[3]  Mattias Rantalainen,et al.  Statistical correlation and projection methods for improved information recovery from diffusion-edited NMR spectra of biological samples. , 2007, Analytical chemistry.

[4]  O. Trapp.  Boosting the throughput of separation techniques by "multiplexing". , 2007, Angewandte Chemie.

[5]  Sunghwan Kim,et al.  The transformation and mobility of charcoal in a fire-impacted watershed , 2007 .

[6]  M. Godejohann.  Hydrophilic interaction chromatography coupled to nuclear magnetic resonance spectroscopy and mass spectroscopy--a new approach for the separation and identification of extremely polar analytes in bodyfluids. , 2007, Journal of chromatography. A.

[7]  Daniel Raftery,et al.  Class selection of amino acid metabolites in body fluids using chemical derivatization and their enhanced 13C NMR , 2007, Proceedings of the National Academy of Sciences.

[8]  K. Nicolaou,et al.  On the structure of maitotoxin. , 2007, Angewandte Chemie.

[9]  R. Zenobi,et al.  Functional group analysis of high-molecular weight compounds in the water-soluble fraction of organic aerosols , 2007 .

[10]  Erin Shammel Baker,et al.  Ion mobility spectrometry—mass spectrometry performance using electrodynamic ion funnels and elevated drift gas pressures , 2007, Journal of the American Society for Mass Spectrometry.

[11]  T. Kuromori,et al.  Top-down Phenomics of Arabidopsis thaliana , 2007, Journal of Biological Chemistry.

[12]  D. Sakellariou,et al.  High-resolution, high-sensitivity NMR of nanolitre anisotropic samples by coil spinning , 2007, Nature.

[13]  Elaine Holmes,et al.  A top-down systems biology view of microbiome-mammalian metabolic interactions in a mouse model , 2007, Molecular systems biology.

[14]  A. Kettrup,et al.  Structural Investigations: Nuclear Magnetic Resonance Spectroscopy Investigations of Silylated Refractory Organic Substances , 2007 .

[15]  C. Largeau,et al.  Kerogen origin, evolution and structure , 2007 .

[16]  A. Tivanski,et al.  Chemical bonding and structure of black carbon reference materials and individual carbonaceous atmospheric aerosols , 2007 .

[17]  M. Pérez‐Trujillo,et al.  Optimizing sensitivity and resolution in time‐shared NMR experiments , 2007, Magnetic resonance in chemistry : MRC.

[18]  R. Zenobi,et al.  Evaporative light scattering: a novel detection method for the quantitative analysis of humic-like substances in aerosols. , 2007, Environmental science & technology.

[19]  Manfred Spraul,et al.  Virtual chromatographic resolution enhancement in cryoflow LC-NMR experiments via statistical total correlation spectroscopy. , 2007, Analytical chemistry.

[20]  M. Moran,et al.  Large-scale mapping of human protein–protein interactions by mass spectrometry , 2007, Molecular systems biology.

[21]  G. Siuzdak,et al.  Selective metabolite and peptide capture/mass detection using fluorous affinity tags. , 2007, Journal of proteome research.

[22]  Elaine Holmes,et al.  Metabonomics in pharmaceutical R & D , 2007, The FEBS journal.

[23]  P. Hatcher,et al.  Advanced instrumental approaches for characterization of marine dissolved organic matter: extraction techniques, mass spectrometry, and nuclear magnetic resonance spectroscopy. , 2007, Chemical reviews.

[24]  Lewis E. Kay,et al.  Quantitative dynamics and binding studies of the 20S proteasome by NMR , 2007, Nature.

[25]  T. Rauchfuss,et al.  Evolution of organo-cyanometallate cages: supramolecular architectures and new Cs+-specific receptors. , 2007, Accounts of Chemical Research.

[26]  Monica L. Mo,et al.  Global reconstruction of the human metabolic network based on genomic and bibliomic data , 2007, Proceedings of the National Academy of Sciences.

[27]  Comparison of 2‐D LC and 3‐D LC with post‐ and pre‐tryptic‐digestion SEC fractionation for proteome analysis of normal human liver tissue , 2007, Proteomics.

[28]  A. Kettrup,et al.  Substitution patterns in aromatic rings by increment analysis. Model development and application to natural organic matter. , 2007, Analytical chemistry.

[29]  G. Siuzdak,et al.  From exogenous to endogenous: the inevitable imprint of mass spectrometry in metabolomics. , 2007, Journal of proteome research.

[30]  Jon Clardy,et al.  Differential analysis of 2D NMR spectra: new natural products from a pilot-scale fungal extract library. , 2007, Angewandte Chemie.

[31]  K. Wittern,et al.  Quantitative 13C NMR spectroscopic studies on the equilibrium of formaldehyde with its releasing cosmetic preservatives. , 2007, Analytical chemistry.

[32]  F. Diederich,et al.  Self-assembly, DNA complexation, and pH response of amphiphilic dendrimers for gene transfection. , 2007, Langmuir : the ACS journal of surfaces and colloids.

[33]  P. Schanda,et al.  UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. , 2007, Journal of the American Chemical Society.

[34]  Gerhard Kattner,et al.  Fundamentals of molecular formula assignment to ultrahigh resolution mass data of natural organic matter. , 2007, Analytical chemistry.

[35]  R. Furlan,et al.  Chemically engineered extracts as an alternative source of bioactive natural product-like compounds , 2007, Proceedings of the National Academy of Sciences.

[36]  F. Diederich,et al.  Phosphate recognition in structural biology. , 2007, Angewandte Chemie.

[37]  Daniel Raftery,et al.  Comparing and combining NMR spectroscopy and mass spectrometry in metabolomics , 2007, Analytical and bioanalytical chemistry.

[38]  T. Hänsch.  Passion for precision. , 2007, Chemphyschem : a European journal of chemical physics and physical chemistry.

[39]  Oliver Fiehn,et al.  Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry , 2007, BMC Bioinformatics.

[40]  Jonathan V Sweedler,et al.  Profiling signaling peptides in single mammalian cells using mass spectrometry. , 2006, Analytical chemistry.

[41]  X. Zhang,et al.  Capillary array reversed-phase liquid chromatography-based multidimensional separation system coupled with MALDI-TOF-TOF-MS detection for high-throughput proteome analysis. , 2006, Journal of proteome research.

[42]  G Marius Clore,et al.  NMR structural and kinetic characterization of a homeodomain diffusing and hopping on nonspecific DNA , 2006, Proceedings of the National Academy of Sciences.

[43]  X. Zhang,et al.  Novel strategy of high-abundance protein depletion using multidimensional liquid chromatography. , 2006, Journal of proteome research.

[44]  T. Reemtsma,et al.  Fulvic acids as transition state of organic matter: indications from high resolution mass spectrometry. , 2006, Environmental science & technology.

[45]  M. Rantalainen,et al.  Statistically integrated metabonomic-proteomic studies on a human prostate cancer xenograft model in mice. , 2006, Journal of proteome research.

[46]  A. Marshall,et al.  Atmospheric pressure photoionization fourier transform ion cyclotron resonance mass spectrometry for complex mixture analysis. , 2006, Analytical chemistry.

[47]  Elaine Holmes,et al.  Impact of analytical bias in metabonomic studies of human blood serum and plasma. , 2006, Analytical chemistry.

[48]  H. Mori,et al.  Metabolomics approach for enzyme discovery. , 2006, Journal of proteome research.

[49]  P. Schmitt‐Kopplin,et al.  Characterization of a major refractory component of marine dissolved organic matter , 2006 .

[50]  Elaine Holmes,et al.  Systems toxicology: integrated genomic, proteomic and metabonomic analysis of methapyrilene induced hepatotoxicity in the rat. , 2006, Journal of proteome research.

[51]  D. Argyropoulos,et al.  Quantitative 31P NMR detection of oxygen-centered and carbon-centered radical species. , 2006, Bioorganic & medicinal chemistry.

[52]  T. Hänsch.  Passion for Precision (Nobel Lecture) , 2006 .

[53]  C. Deng,et al.  Comprehensive two‐dimensional separation in coupling of reversed‐phase chromatography with capillary isoelectric focusing followed by MALDI‐MS identification using on‐target digestion for intact protein analysis , 2006, Electrophoresis.

[54]  Elizabeth B Kujawinski,et al.  Automated analysis of electrospray ionization fourier transform ion cyclotron resonance mass spectra of natural organic matter. , 2006, Analytical chemistry.

[55]  Richard D. Smith,et al.  Advances in proteomics data analysis and display using an accurate mass and time tag approach. , 2006, Mass spectrometry reviews.

[56]  Lewis E. Kay,et al.  New Tools Provide New Insights in NMR Studies of Protein Dynamics , 2006, Science.

[57]  Alan G. Marshall,et al.  Truly “exact” mass: Elemental composition can be determined uniquely from molecular mass measurement at ∼0.1 mDa accuracy for molecules up to ∼500 Da , 2006 .

[58]  Zheng Ouyang,et al.  Ambient Mass Spectrometry , 2006, Science.

[59]  T. Dittmar,et al.  From mass to structure: an aromaticity index for high‐resolution mass data of natural organic matter , 2006 .

[60]  Juris Meija,et al.  Mathematical tools in analytical mass spectrometry , 2006, Analytical and bioanalytical chemistry.

[61]  J. Lindon,et al.  Scaling and normalization effects in NMR spectroscopic metabonomic data sets. , 2006, Analytical chemistry.

[62]  G. Siuzdak,et al.  Solvent-dependent metabolite distribution, clustering, and protein extraction for serum profiling with mass spectrometry. , 2006, Analytical chemistry.

[63]  Guido Viscardi,et al.  Chemicals from wastes: compost-derived humic acid-like matter as surfactant. , 2006, Environmental science & technology.

[64]  Robert S Plumb,et al.  Statistical heterospectroscopy, an approach to the integrated analysis of NMR and UPLC-MS data sets: application in metabonomic toxicology studies. , 2006, Analytical chemistry.

[65]  Yuegang Zhang,et al.  Characterizing challenging microcrystalline solids with solid-state NMR shift tensor and synchrotron X-ray powder diffraction data: structural analysis of ambuic acid. , 2006, Journal of the American Chemical Society.

[66]  J. Syage,et al.  Comparison of atmospheric pressure photoionization, atmospheric pressure chemical ionization, and electrospray ionization mass spectrometry for analysis of lipids. , 2006, Analytical chemistry.

[67]  R. Abagyan,et al.  XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification. , 2006, Analytical chemistry.

[68]  E. Kelly,et al.  Chemical-structural information from solid-state 13C NMR studies of a suite of humic materials from a lower montane forest soil, Colorado, USA , 2006 .

[69]  A. Bristow.  Accurate mass measurement for the determination of elemental formula--a tutorial. , 2006, Mass spectrometry reviews.

[70]  J. Prestegard,et al.  Mass spectrometry assisted assignment of NMR resonances in reductively 13C-methylated proteins. , 2005, Journal of the American Chemical Society.

[71]  D. Capitani,et al.  Electron paramagnetic resonance, scanning electron microscopy with energy dispersion X-ray spectrometry, X-ray powder diffraction, and NMR characterization of iron-rich fired clays. , 2005, The journal of physical chemistry. B.

[72]  P. Schmitt‐Kopplin,et al.  Design of quinonoid-enriched humic materials with enhanced redox properties. , 2005, Environmental science & technology.

[73]  M. J. Chalmers,et al.  Combined top-down and bottom-up mass spectrometric approach to characterization of biomarkers for renal disease. , 2005, Analytical chemistry.

[74]  R. Marchelli,et al.  Alternate isotope-coded derivatization assay: an isotope dilution method applied to the quantification of zearalenone in maize flour. , 2005, Angewandte Chemie.

[75]  J. F. Stoddart,et al.  Multivalency and cooperativity in supramolecular chemistry. , 2005, Accounts of chemical research.

[76]  Gerhard Kattner,et al.  Molecular formulae of marine and terrigenous dissolved organic matter detected by electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry , 2005 .

[77]  F. Diederich,et al.  Orthogonal Multipolar Interactions in Structural Chemistry and Biology , 2005 .

[78]  E Holmes,et al.  Curve-fitting method for direct quantitation of compounds in complex biological mixtures using 1H NMR: application in metabonomic toxicology studies. , 2005, Analytical chemistry.

[79]  X. Shuai,et al.  Supramolecular gene delivery vectors showing enhanced transgene expression and good biocompatibility. , 2005, Bioconjugate chemistry.

[80]  J. Nielsen,et al.  Uncovering transcriptional regulation of metabolism by using metabolic network topology. , 2005, Proceedings of the National Academy of Sciences of the United States of America.

[81]  H. Stuppner,et al.  LC-DAD-MS/SPE-NMR hyphenation. A tool for the analysis of pharmaceutically used plant extracts: identification of isobaric iridoid glycoside regioisomers from Harpagophytum procumbens. , 2005, Analytical chemistry.

[82]  T. Schaub,et al.  Instrumentation and method for ultrahigh resolution field desorption ionization fourier transform ion cyclotron resonance mass spectrometry of nonpolar species. , 2005, Analytical chemistry.

[83]  D. Gauguier,et al.  Statistical total correlation spectroscopy: an exploratory approach for latent biomarker identification from metabolic 1H NMR data sets. , 2005, Analytical chemistry.

[84]  J. Trygg,et al.  Evaluation of the orthogonal projection on latent structure model limitations caused by chemical shift variability and improved visualization of biomarker changes in 1H NMR spectroscopic metabonomic studies. , 2005, Analytical chemistry.

[85]  A. Kettrup,et al.  Molecular Level Structural Analysis of Natural Organic Matter and of Humic Substances by Multinuclear and Higher Dimensional NMR Spectroscopy , 2005 .

[86]  K. Hatfield,et al.  Use of humic substances to remediate polluted environments : from theory to practice , 2005 .

[87]  Guido F Pauli,et al.  Quantitative 1H NMR: development and potential of a method for natural products analysis. , 2005, Journal of natural products.

[88]  G. Madey,et al.  A Stochastic Model for the Synthesis and Degradation of Natural Organic Matter. Part I. Data Structures and Reaction Kinetics , 2005 .

[89]  Biqing Liang,et al.  Carbon K‐Edge NEXAFS and FTIR‐ATR Spectroscopic Investigation of Organic Carbon Speciation in Soils , 2005 .

[90]  A. Kettrup,et al.  A potentiometric and 113Cd NMR study of cadmium complexation by natural organic matter at two different magnetic field strengths. , 2004, Analytical chemistry.

[91]  A P M Kentgens,et al.  Towards nuclear magnetic resonance micro-spectroscopy and micro-imaging. , 2004, The Analyst.

[92]  J. Syage,et al.  Atmospheric pressure photoionization. 1. General properties for LC/MS. , 2004, Analytical chemistry.

[93]  John C Lindon,et al.  Integrated application of transcriptomics and metabonomics yields new insight into the toxicity due to paracetamol in the mouse. , 2004, Journal of pharmaceutical and biomedical analysis.

[94]  N. L. Greenbaum,et al.  Improved mass analysis of oligoribonucleotides by 13C, 15N double depletion and electrospray ionization FT-ICR mass spectrometry. , 2004, Analytical chemistry.

[95]  C. Masiello,et al.  Reburial of fossil organic carbon in marine sediments , 2004, Nature.

[96]  J. Seco,et al.  The assignment of absolute configuration by NMR , 2004 .

[97]  S A Benner,et al.  Borate Minerals Stabilize Ribose , 2004, Science.

[98]  S. Homans.  NMR spectroscopy tools for structure-aided drug design. , 2004, Angewandte Chemie.

[99]  Eric K. Neumann,et al.  Phenotype Characterisation Using Integrated Gene Transcript, Protein and Metabolite Profiling , 2004, Applied bioinformatics.

[100]  A. Marshall,et al.  Petroleomics: the next grand challenge for chemical analysis. , 2004, Accounts of chemical research.

[101]  Sunghwan Kim,et al.  Graphical method for analysis of ultrahigh-resolution broadband mass spectra of natural organic matter, the van Krevelen diagram. , 2003, Analytical chemistry.

[102]  Tomas Alsberg,et al.  Estimation of the average molecular weight of humic-like substances isolated from fine atmospheric aerosol , 2003 .

[103]  C. Richter,et al.  In vivo monitoring of alkaloid metabolism in hybrid plant cell cultures by 2D cryo-NMR without labelling. , 2003, Bioorganic & medicinal chemistry.

[104]  Scott D. Collins,et al.  A Micromachined Double-Tuned NMR Microprobe , 2003 .

[105]  G. Kroon,et al.  1H,15N,13C-triple resonance NMR of very large systems at 900 MHz. , 2003, Journal of magnetic resonance.

[106]  Robert Petesch,et al.  "Mass defect" tags for biomolecular mass spectrometry. , 2003, Journal of mass spectrometry : JMS.

[107]  J. Shear,et al.  Microsecond electrophoresis , 2003, Proceedings of the National Academy of Sciences of the United States of America.

[108]  S. Roussis,et al.  Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra. , 2003, Analytical chemistry.

[109]  R. Withers,et al.  Advancing NMR sensitivity for LC-NMR-MS using a cryoflow probe: application to the analysis of acetaminophen metabolites in urine. , 2003, Analytical chemistry.

[110]  A. Marshall,et al.  Exact masses and chemical formulas of individual Suwannee River fulvic acids from ultrahigh resolution electrospray ionization Fourier transform ion cyclotron resonance mass spectra. , 2003, Analytical chemistry.

[111]  T. Szyperski,et al.  GFT NMR, a new approach to rapidly obtain precise high-dimensional NMR spectral information. , 2003, Journal of the American Chemical Society.

[112]  A. Gronenborn,et al.  Solution structure of a circular-permuted variant of the potent HIV-inactivating protein cyanovirin-N: structural basis for protein stability and oligosaccharide interaction. , 2003, Journal of molecular biology.

[113]  E. Perdue,et al.  Proton-binding study of standard and reference fulvic acids, humic acids, and natural organic matter , 2003 .

[114]  Lucio Frydman,et al.  The acquisition of multidimensional NMR spectra within a single scan , 2002, Proceedings of the National Academy of Sciences of the United States of America.

[115]  A. Barabasi,et al.  Hierarchical Organization of Modularity in Metabolic Networks , 2002, Science.

[116]  Daniel Marek,et al.  High-resolution capillary tube NMR. A miniaturized 5-microL high-sensitivity TXI probe for mass-limited samples, off-line LC NMR, and HT NMR. , 2002, Analytical chemistry.

[117]  J. Ripmeester,et al.  Chemical derivatization of Athabasca oil sand asphaltene for analysis of hydroxyl and carboxyl groups via nuclear magnetic resonance spectroscopy , 2002 .

[118]  J. Magdalou,et al.  Comparison of electrospray, atmospheric pressure chemical ionization, and atmospheric pressure photoionization in the identification of apomorphine, dobutamine, and entacapone phase II metabolites in biological samples. , 2002, Analytical chemistry.

[119]  F. Frimmel.  Refractory organic substances in the environment , 2002 .

[120]  M. Facchini,et al.  Water soluble organic compounds formed by oxidation of soot , 2002 .

[121]  A. Kettrup,et al.  Comparative analysis of partial structures of a peat humic and fulvic acid using one- and two-dimensional nuclear magnetic resonance spectroscopy. , 2002, Journal of environmental quality.

[122]  Kurt Wüthrich,et al.  Nmr in drug discovery , 2002, Nature Reviews Drug Discovery.

[123]  Elizabeth B. Kujawinski,et al.  Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (ESI FT-ICR MS): Characterization of Complex Environmental Mixtures , 2002 .

[124]  P. MacCarthy.  THE PRINCIPLES OF HUMIC SUBSTANCES , 2001 .

[125]  J. Burdon.  ARE THE TRADITIONAL CONCEPTS OF THE STRUCTURES OF HUMIC SUBSTANCES REALISTIC? , 2001 .

[126]  Application of Chemical Shift Imaging for Simultaneous and Fast Acquisition of NMR Spectra on Multiple Samples. , 2001, Angewandte Chemie.

[127]  M. Yoshikawa,et al.  Development and testing of superfluid-cooled 900 MHz NMR magnet , 2001 .

[128]  A G Marshall,et al.  Kendrick mass defect spectrum: a compact visual analysis for ultrahigh-resolution broadband mass spectra. , 2001, Analytical chemistry.

[129]  D. Argyropoulos,et al.  Quantitative (13)C NMR analysis of lignins with internal standards. , 2001, Journal of agricultural and food chemistry.

[130]  J. Baldock,et al.  Demineralization of marine and freshwater sediments for CP/MAS 13C NMR analysis , 2001 .

[131]  A. Marshall,et al.  Baseline mass resolution of peptide isobars: a record for molecular mass resolution. , 2001, Analytical chemistry.

[132]  J. Duus,et al.  Carbohydrate structural determination by NMR spectroscopy: modern methods and limitations. , 2000, Chemical reviews.

[133]  J C Lindon,et al.  Directly coupled HPLC-NMR and HPLC-NMR-MS in pharmaceutical research and development. , 2000, Journal of chromatography. B, Biomedical sciences and applications.

[134]  M. Facchini,et al.  Study of humic-like substances in fog and interstitial aerosol by size-exclusion chromatography and capillary electrophoresis , 2000 .

[135]  Hideo Takahashi,et al.  A novel NMR method for determining the interfaces of large protein–protein complexes , 2000, Nature Structural Biology.

[136]  Jonathan V. Sweedler,et al.  High-Resolution NMR Spectroscopy of Sample Volumes from 1 nL to 10 μL , 1999 .

[137]  D. Powlson,et al.  Statistical Analysis of Published Carbon‐13 CPMAS NMR Spectra of Soil Organic Matter , 1999 .

[138]  Milton L. Lee,et al.  General Equation for Peak Capacity in Column Chromatography , 1998 .

[139]  C. Toniolo,et al.  First Step Toward the Quantitative Identification of Peptide 310-Helix Conformation with NMR Spectroscopy: NMR and X-ray Diffraction Structural Analysis of a Fully-Developed 310-Helical Peptide Standard , 1998 .

[140]  A. Marshall,et al.  Fourier transform ion cyclotron resonance mass spectrometry: a primer. , 1998, Mass spectrometry reviews.

[141]  J. Oades,et al.  Comparative organic geochemistries of soils and marine sediments , 1997 .

[142]  Y. Kishi,et al.  The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin , 1997 .

[143]  P. Hajduk,et al.  Discovering High-Affinity Ligands for Proteins: SAR by NMR , 1996, Science.

[144]  H. Utsumi,et al.  Structural Confirmation of Maitotoxin Based on Complete 13C NMR Assignments and the Three-Dimensional PFG NOESY-HMQC Spectrum , 1995 .

[145]  R. Magin,et al.  1H-NMR spectroscopy on the nanoliter scale for static and on-line measurements , 1994 .

[146]  M. Satake,et al.  Structure and Partial Stereochemical Assignments for Maitotoxin, the Most Toxic and Largest Natural Non-Biopolymer , 1994 .

[147]  K. Thorn,et al.  Nitrogen-15 and carbon-13 NMR investigation of hydroxylamine-derivatized humic substances , 1992 .

[148]  S. Wood,et al.  Geochim. cosmochim. acta , 1990 .

[149]  E. Kendrick.  A Mass Scale Based on CH2 = 14.0000 for High Resolution Mass Spectrometry of Organic Compounds. , 1963 .