SMASH 2014 Poster Abstracts

Sort List by IDs

Author ID Title
Shi Bai 41 Multinuclear Solid-state NMR Studies of Form I of Atorvastatin Calcium
Jessica Bame 13 Conformational Determination of Conformationally Biased Homologated Alkanes
Hanna Bartling 10 Merging NMR and UV/Vis for Mechanistic Studies on Photocatalytic Systems
Haoxi Ben 20 Isotopic Tracing and In-situ NMR Monitoring
Michael Bernstein 21 Mixtures Analysis of Complex Samples
Michael Bernstein 26 A Complete Wine Analysis Using Multiplets Detection
Alexei Buevich 45 NMR Structure Elucidation of Small Organic Molecules and Natural Products: Choosing ADEQUATE vs HMBC
Andres Castillo 25 Online Analysis and Visualisation Tools for Chemical Information
Steve Cheatham 8 Exploiting Natural Abundance 13C-15N Coupling as a Method for Identification of Nitrogen Heterocycles: Practical use of the HCNMBC Sequence
Juan Carlos Cobas Gómez 53 Wide-Band Relaxometry Analysis of Noisy Multiexponential Decay Data
Steve Coombes 50 Real Time On-Line Flow-NMR-MS For Reaction Monitoring
Alvaro Cunha Neto 42 Application of No-D NMR in Illicite Cocaine Analysis
Iain Day 7 Using Fluoroaromatics as Probes of Small Molecule Self-Aggregation
Regina Easley 22 Determination of Spectrophotometric pH Indicator Purity Using Quantitative 1H NMR
Franziska Fendt 9 29Si and 119Sn NMR Studies on E44
Erwin Garcia 29 Effectiveness of CRAFT in Quantifying Serum Metabolites in the Presence of Spectral Distortions and Sharp/Broad Peak Overlap
Manuela García 63 Di(ethylene glycol) Methyl Ether Methacrylate (DEGMA) Gels Align Small Organic Molecules in Methanol
Ion Ghiviriga 40 A Modified EXSIDE Experiment for the Measurement of 19F-15N Coupling Constants at Natural Abundance
Patrick Giraudeau 4 In situ EC-NMR by Real-Time 1D and 2D Spectroscopy
Simon Glanzer 16 Homonuclear J-Scaling During Acquisition
John Glushka 58 Software Tools for Simulating NOEs and J-Coupling from Long MD Trajectories of Flexible Molecules
Igor Goljer 55 Utilizing Fluorine NMR in the Detection and Structural Elucidation of Metabolites
Michael M. Hammer 2 Unravelling Organocatalytic Reaction Mechanisms by NMR-Spectroscopy
Emmanuel Hatzakis 1 Compositional Analysis of Encapsulated Fish Oil Supplements using Multinuclear and Multidimensional NMR Spectroscopy
Jaroslav Havlicek 17 Characterization of Active Pharmaceutical Ingredients Using Solid-State NMR Spectroscopy
Erich Hellemann 62 Pure Shift F1 Proton-Coupled J-Scaled BIRD HSQC to Measure RDCs with Higher Accuracy and Sensitivity: Features and Limitations
Jochen Junker 24 Can NMR Correlations Determine Your Structure Unambiguously?
Philip Keyes 23 Automated Structure Verification: High Profile Patent Issues Building a C.A.S.E. for Enhanced Compound Quality Assurance
Carina Koch 5 Mechanistic Studies of Transmetalation Intermediates in Copper-Catalyzed 1,4 Addition Reactions by Modified 1D 1H31P HMBCs
Ard Kolkman 33 A Combined Approach: Highly Sensitive Pure Shift NMR and Structure Elucidation of ppm-impurities in Bulk Chemicals
Aleksej Krunić 57 Application of Ultra-high Field NMR Spectroscopy in Characterization of Natural Products
Till Kühn 64 From Automatic Structure Consistency Analysis to Structure Verification in NMR
Marek Kuzma 61 The MSG Mouse Model of Obesity Studied by NMR Metabonomics
Valdemar Lacerda Jr. 35 Unequivocal Structural Assignments of Three Cycloheptenoid Intermediates for Guaiane Sesquiterpenes: An Experimental and Theoretical Approach
Melissa Lin 59 Investigation of the Root Cause of Opalescence of an Injectable Drug Product by Diffusion Ordered Spectroscopy
Bertram Manz 15 Latest Developments and Applications for High Resolution Multinuclear Benchtop NMR Spectrometers
Michelle Markus 27 Full Automation of Routine NMR Aanalysis for Polymers, Using Assure-RMS
Michelle Markus 28 What is in Your Dishwashing Liquid? Developing Fully Automated Screening Methods for Commercial Products
Estelle Martineau 32 Non-linear Effects in Quantitative 2D NMR of Polysaccharides: Pitfalls and How to Avoid Them
C. Benjamin Naman 31 Determination of an Unprecedented Fused Pentacyclic Flavonoid Skeleton by Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates
Ikenna Ndukwe 14 Sensitivity and Resolution Enhancement in EXSIDE and Band Selective EXSIDE
Teodor Parella 47 Perfect-HSQC: Suppression of Phase and Amplitude J(HH) Modulations
Teodor Parella 46 Fast and Efficient Enantiodifferentiation Through Pure Shift NMR
Rogelio Pereda 51 DFT 1H-1H Coupling Constants in the Configurational Reassignment of Synargentolide A
Andrew R. Phillips 3 Using NMR to Gain Understanding of Dissolution Processes
Dmitri Pichugin 52 Evaluating the Relative Merits of CRISIS-HSQC, Pure Shift-HSQC and ASAP-HMQC for Rapid Screening of Organic Compounds
Radek Pohl 37 Tautomerism of Isocytosine - Low-temperature NMR Study
Eliška Procházková 12 'Planamerism': A Novel Stereochemical Phenomenon?
Josep Saurí 49 Simultaneous Measurement of the Magnitude and the Sign of Multiple Heteronuclear Coupling Constants in 19F- or 31P- Containing Molecules
Josep Saurí 48 Pure In-Phase Heteronuclear Correlation NMR Experiments
Andrea Sefler 30 NMR For Quality Control of Injection Solution Mixtures: Comparison of Integration and CRAFT Analysis
Maria Victoria Silva Elipe 34 Application of 19F Time-Domain NMR to Measure Content in FLuorine Containing Drug Products
Eduardo Sousa 11 Spectroscopic Characterization of Polimorphism in Efavirenz
Iain Swan 38 Measuring and Mitigating Convection in NMR
Godiraone Tatolo 18 Constant Time Gradient CRISIS HMBC (CTgc2HMBC)
Donald Thomas 44 Oils of Provenance: Quantitative NMR Using Natural Abundance Deuterium
Mateusz Urbanczyk 19 Diffusion-ordered NMR with Joint Sparse Time-gradient Domain.
Janaina Vilcachagua 36 Structural Assignment of Non-aromatic B-ring Flavanones from Piper Carniconnectivum C. DC by NMR, ECD and DFT Calculations
Jan‑Christoph Westermann 43 Free Ligand Conformational Populations in Solution
Patrick Wheeler 54 Structure Revision of Acremolin: CASE Approach Based on 2D NMR vs. Total Synthesis
Thomas Williamson 56 LR-HSQMBC: A Highly Sensitive NMR Technique to Probe Very Long-Range Heteronuclear Coupling Pathways
Christiane Wolff 6 Kinetic Study of Olefin Metathesis Reactions using a Benchtop NMR Spectrometer
Xiaoda Yuan 39 Characterizing Hydrogen Bonding Interactions in Amorphous Solid Dispersions Using Solid-State NMR Spectroscopy
You Zhuo 60 Monitoring In-Cell Metabolism with High Sensitivity Using DNP Polarized Substrates.